1-Methyl-6-nitrobenzimidazole

HCID 94978
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Basic information

CAS
5381-79-3
Standard SMILES
Cn1cnc2ccc([N+](=O)[O-])cc21
InChIKey
HVZQEZDKCBTTTL-UHFFFAOYSA-N
Molecular formula
C8H7N3O2
Average molar mass
177.16 g/mol
Monoisotopic mass
177.05382646

Names & identifiers

Preferred name
1-Methyl-6-nitrobenzimidazole
IUPAC
1-methyl-6-nitrobenzimidazole
English name
1H-Benzimidazole,1-methyl-6-nitro-(9CI)
Molecular formula
C8H7N3O2
Molecular weight
177.16

Names & synonyms

5381-79-31-methyl-6-nitrobenzimidazole1-methyl-6-nitro-1H-benzimidazole1-Methyl-6-Nitro-1H-benzo[d]imidazole1H-Benzimidazole, 1-methyl-6-nitro-MFCD009628141-methyl-6-nitro-1H-1,3-benzodiazole1-N-Methyl-5(6)-nitrobenzimidazole1-methyl-6-nitro-1H-1,3-benzimidazoleBenzimidazole, 1-methyl-6-nitro-1H-Benzimidazole,1-methyl-6-nitro-(9CI)1-methyl-6-nitro-benzimidazole
Show more names
(9ci) -1-methyl-6-nitro-1H-benzimidazole
CCRIS 3323NSC 12003NSC12003Oprea1_603510CHEMBL347689SCHEMBL1489409DTXSID60202088HVZQEZDKCBTTTL-UHFFFAOYSA-N

Database identifiers

CAS
5381-79-3
PubChem CID
94978
DTXSID
DTXSID60202088
ChEMBL
CHEMBL347689
EC Number
104-000-2
Nikkaji
J640.950D

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
63.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

HS Code
2933998090 · 2933998090

Safety & regulation

Safety data

hs_code
2933998090

Chemistry & industry

Suppliers19 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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