Cas no 81265-85-2 (Benzoic acid,4-(2H-indazol-2-yl)-)
81265-85-2 structure
Product Name:Benzoic acid,4-(2H-indazol-2-yl)-
CAS No:81265-85-2
MF:C14H10N2O2
MW:238.241403102875
CID:726555
PubChem ID:54730
Update Time:2025-04-19
Benzoic acid,4-(2H-indazol-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-indazol-2-ylbenzoic acid
- Benzoic acid,4-(2H-indazol-2-yl)-
- p-(2H-Indazol-2-yl)-benzoic acid
- DTXSID70231021
- 81265-85-2
- p-(2h-indazol-2-yl)benzoic acid
- AUTJVELNICXKTK-UHFFFAOYSA-N
- 4-indazol-2-yl-benzoic acid
- M.G. 18878
- SCHEMBL3668881
- BENZOIC ACID, p-(2H-INDAZOL-2-YL)-
-
- Inchi： 1S/C14H10N2O2/c17-14(18)10-5-7-12(8-6-10)16-9-11-3-1-2-4-13(11)15-16/h1-9H,(H,17,18)
- InChI Key： AUTJVELNICXKTK-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)N1C=C2C=CC=CC2=N1)=O
Computed Properties
- Exact Mass: 238.074228
- Monoisotopic Mass: 238.074228
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 313
- 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: 55.1
- XLogP3: 2.8
Experimental Properties
- Density: 1.3
- Boiling Point: 336.4°C at 760 mmHg
- Flash Point: 157.3°C
- Refractive Index: 1.669
Benzoic acid,4-(2H-indazol-2-yl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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