1,3-Benzenediamine, 4,6-dichloro-2-methyl-
Basic information
- CAS
50694-82-1- Standard SMILES
Cc1c(N)c(Cl)cc(Cl)c1N- InChIKey
NZEMUDMZNPTINI-UHFFFAOYSA-N- Molecular formula
- C7H8Cl2N2
- Average molar mass
- 191.05 g/mol
- Monoisotopic mass
- 190.0064537
Names & identifiers
- Preferred name
- 1,3-Benzenediamine, 4,6-dichloro-2-methyl-
- IUPAC
- 4,6-dichloro-2-methylbenzene-1,3-diamine
Names & synonyms
1,3-Benzenediamine, 4,6-dichloro-2-methyl-50694-82-14,6-dichloro-2-methylbenzene-1,3-diamineDTXSID6073526SCHEMBL11854348
Database identifiers
- CAS
50694-82-1- PubChem CID
- 94535
- DTXSID
DTXSID6073526- Nikkaji
- J1.619.423I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
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Compound notes
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