1-(2-Chloroethyl)-2-methyl-5-nitroimidazole

HCID 83210

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

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]

Related reactions

7 records

Compound notes

Loading…