Cas no 30855-43-7 (Pyrimido[5,4-e]-1,2,4-triazine-3-aceticacid, 5-chloro-1,2-dihydro-, ethyl ester)
![Pyrimido[5,4-e]-1,2,4-triazine-3-aceticacid, 5-chloro-1,2-dihydro-, ethyl ester structure](https://ossimg.kuujia.com/scimg/31000/30855-43-7x500.png)
30855-43-7 structure
Product Name:Pyrimido[5,4-e]-1,2,4-triazine-3-aceticacid, 5-chloro-1,2-dihydro-, ethyl ester
CAS No:30855-43-7
MF:C9H10ClN5O2
MW:255.660999774933
CID:314662
PubChem ID:267897
Update Time:2025-04-19
Pyrimido[5,4-e]-1,2,4-triazine-3-aceticacid, 5-chloro-1,2-dihydro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pyrimido[5,4-e]-1,2,4-triazine-3-aceticacid, 5-chloro-1,2-dihydro-, ethyl ester
- (5-carboxy-2-nitrophenyl)acetonitrile
- (5-chloro-1,2-dihydro-pyrimido[5,4-e][1,2,4]triazin-3-yl)-acetic acid ethyl ester
- 5-CARBOXY-2-NITROBENZYL CYANIDE
- AGN-PC-00N40V
- Benzoic acid, 3-(cyanomethyl)-4-nitro-
- CTK8G4948
- KB-197194
- N515
- NSC107667
- NSC-107667
- ethyl (5-chloro-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-3-yl)acetate
- DTXSID00953047
- 30855-43-7
-
- Inchi： 1S/C9H10ClN5O2/c1-2-17-6(16)3-5-13-7-8(10)11-4-12-9(7)15-14-5/h4H,2-3H2,1H3,(H,13,14)(H,11,12,15)
- InChI Key： RTEFTMDSKJOYLV-UHFFFAOYSA-N
- SMILES： ClC1C2=C(N=CN=1)NNC(CC(=O)OCC)=N2
Computed Properties
- Exact Mass: 255.0525
- Monoisotopic Mass: 255.052302
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 88.5
- XLogP3: 1.8
Experimental Properties
- Density: 1.63
- Boiling Point: 441.6°Cat760mmHg
- Flash Point: 220.9°C
- Refractive Index: 1.706
- PSA: 88.5
- LogP: 1.00220
Pyrimido[5,4-e]-1,2,4-triazine-3-aceticacid, 5-chloro-1,2-dihydro-, ethyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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