Cas no 1393545-88-4 (2,4-dichloro-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine)
![2,4-dichloro-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine structure](https://ossimg.kuujia.com/scimg/1394000/1393545-88-4x500.png)
1393545-88-4 structure
Product Name:2,4-dichloro-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
CAS No:1393545-88-4
MF:C8H8Cl2N2O
MW:219.06791973114
CID:6809670
PubChem ID:72214687
Update Time:2025-04-03
2,4-dichloro-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- SY347056
- 1393545-88-4
- 2,4-DICHLORO-5,6,8,9-TETRAHYDROOXEPINO[4,5-D]PYRIMIDINE
- MFCD22544170
- AB77313
- 2,4-dichloro-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
-
- Inchi： 1S/C8H8Cl2N2O/c9-7-5-1-3-13-4-2-6(5)11-8(10)12-7/h1-4H2
- InChI Key： ISROCBGHZGNLRP-UHFFFAOYSA-N
- SMILES： ClC1C2=C(CCOCC2)N=C(N=1)Cl
Computed Properties
- Exact Mass: 218.0013683Da
- Monoisotopic Mass: 218.0013683Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 182
- 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
- XLogP3: 2.3
- Topological Polar Surface Area: 35?2
2,4-dichloro-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
1393545-88-4 (2,4-dichloro-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine) Related Products
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