Basic information
- CAS
13182-81-5- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCCl- InChIKey
FSFWMJBQLWFXSM-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3O2
- Average molar mass
- 189.6 g/mol
- Monoisotopic mass
- 189.0305042
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-2-methyl-5-nitroimidazole
- IUPAC
- 1-(2-chloroethyl)-2-methyl-5-nitroimidazole
- English name
- 1-(2-chloroethyl)-2-methyl-5-nitro-imidazol
- Molecular formula
- C6H8ClN3O2
- Molecular weight
- 189.6
Names & synonyms
13182-81-51-(2-Chloroethyl)-2-methyl-5-nitroimidazole8A2R934D6ADTXSID30157218RefChem:1053939DTXCID10797091-(2-Chloroethyl)-2-methyl-5-nitro-1H-imidazole1-(2-chloroethyl)-2-methyl-5-nitro-imidazolUNII-8A2R934D6ABRN 0611685Chlorometronidazole1-(2-Chloroethyl)-2-methyl-5-nitro-1H-imidazole; 1-(2-Chloroethyl)-2-methyl-2-nitroimidazole; 1-(2-Chloroethyl)-5-nitro-2-methylimidazole; NSC 83275
Show more names
1-(2-chloroethyl)-2-methyl-5-nitro-1H-midazole1H-Imidazole, 1-(2-chloroethyl)-2-methyl-5-nitro-
Imidazole, 1-(2-chloroethyl)-2-methyl-5-nitro-Ornidazole Impurity C121-(2-chloroethyl)-2-methyl-5-nitro-imidazoleSCHEMBL4091924CHEMBL1080623FSFWMJBQLWFXSM-UHFFFAOYSA-NMFCD00134457SBB080966
Database identifiers
- CAS
13182-81-5- PubChem CID
- 83210
- DTXSID
DTXSID30157218- ChEMBL
CHEMBL1080623- UNII
- 8A2R934D6A
- Nikkaji
- J36.978K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 A2R934D6A · 8A2R934D6A
Chemistry & industry
Applications
Uses1-(2-Chloroethyl)-2-methyl-5-nitroimidazole is used to synthesize anti tumor drugs.
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
7 records
Compound notes
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