Basic information
- CAS
41196-04-7- Standard SMILES
COC(=O)Nc1nc2cc(Cl)c(Cl)cc2[nH]1- InChIKey
CQKXCYIZADLCEG-UHFFFAOYSA-N- Molecular formula
- C9H7Cl2N3O2
- Average molar mass
- 260.07 g/mol
- Monoisotopic mass
- 258.9915319
Names & identifiers
- Preferred name
- methyl N-(5,6-dichloro-1H-benzimidazol-2-yl)carbamate
- IUPAC
- methyl N-(5,6-dichloro-1H-benzimidazol-2-yl)carbamate
- English name
- Methyl 5,6-dichloro-1H-benzo[d]imidazol-2-ylcarbamate
- Molecular formula
- C9H7Cl2N3O2
- Molecular weight
- 260.08
Names & synonyms
41196-04-7NSC109881Methyl (5,6-dichloro-1H-benzo[d]imidazol-2-yl)carbamatemethyl N-(5,6-dichloro-1H-1,3-benzodiazol-2-yl)carbamatemethyl (5,6-dichloro-1h-benzimidazol-2-yl)carbamateCHEMBL71807methyl N-(5,6-dichloro-1H-benzimidazol-2-yl)carbamateDTXSID509614952-Benzimidazolecarbamic acid der.MFCD08234603HS-8726NSC-109881
Show more names
N-(3,4-Dichlorophenyl)-1H-benzo[d]imidazol-2-aminMethyl 5,6-dichloro-1H-benzo[d]imidazol-2-ylcarbamateCarbamic acid, (5,6-dichloro-1H-benzimidazol-2-yl)-, methyl ester (9CI)
SY4948012-Benzimidazolecarbamic acid,6-dichloro-, methyl esterMethyl hydrogen (5,6-dichloro-1H-benzimidazol-2-yl)carbonimidateMethyl hydrogen (5,6-dichloro-1H-1,3-benzimidazol-2-yl)carbonimidate
Database identifiers
- CAS
41196-04-7- PubChem CID
- 269239
- DTXSID
DTXSID50961495
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Density
- 1.641 · 1.641±0.06 g/cm3(Predicted)
- pka
- 8.68 · 8.68±0.10(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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