Cas no 83767-96-8 (Pyrimidine,5-chloro-2-(iodomethyl)-)
83767-96-8 structure
Product Name:Pyrimidine,5-chloro-2-(iodomethyl)-
CAS No:83767-96-8
MF:C5H4ClIN2
MW:254.45613193512
CID:709276
PubChem ID:45117389
Update Time:2025-04-19
Pyrimidine,5-chloro-2-(iodomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,5-chloro-2-(iodomethyl)-
- Pyrimidine, 5-chloro-2-(iodomethyl)- (9CI)
- SCHEMBL18175032
- Pyrimidine,5-chloro-2-(iodomethyl)-(9ci)
- 83767-96-8
-
- Inchi: 1S/C5H4ClIN2/c6-4-2-8-5(1-7)9-3-4/h2-3H,1H2
- InChI Key: XAPWTDCSEMWTPP-UHFFFAOYSA-N
- SMILES: ICC1N=CC(=CN=1)Cl
Computed Properties
- Exact Mass: 253.91077g/mol
- Monoisotopic Mass: 253.91077g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 83
- 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: 1.9
- Topological Polar Surface Area: 25.8?2
Pyrimidine,5-chloro-2-(iodomethyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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