Basic information
- CAS
35727-96-9- Standard SMILES
N#Cc1c(Cl)c(C#N)c(Nc2ccc(Br)cc2)c(C#N)c1Cl- InChIKey
XFWOLTVOEYKXDX-UHFFFAOYSA-N- Molecular formula
- C15H5BrCl2N4
- Average molar mass
- 392 g/mol
- Monoisotopic mass
- 389.90746
Names & identifiers
- Preferred name
- 1,3,5-Benzenetricarbonitrile, 2-(bromoanilino)-4,6-dichloro-
- IUPAC
- 2-(4-bromoanilino)-4,6-dichlorobenzene-1,3,5-tricarbonitrile
- English name
- 2-[(4-Bromophenyl)amino]-4,6-dichloro-1,3,5-benzenetricarbonitrile
- Molecular weight
- 0
Names & synonyms
BRN 278031835727-96-91,3,5-Benzenetricarbonitrile, 2-(bromoanilino)-4,6-dichloro-2-(p-Bromoanilino)-4,6-dichlorotrimesonitrile2-(p-Bromoanilino)-4,6-dichloro-1,3,5-benzenetricarbonitrileDTXSID20189265RefChem:217145DTXCID501117562-(4-bromoanilino)-4,6-dichlorobenzene-1,3,5-tricarbonitrileCHEMBL32481422-[(4-Bromophenyl)amino]-4,6-dichloro-1,3,5-benzenetricarbonitrile
Database identifiers
- CAS
35727-96-9- PubChem CID
- 215470
- DTXSID
DTXSID20189265- ChEMBL
CHEMBL3248142- Nikkaji
- J41.336D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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