2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol
Basic information
- CAS
115084-48-5- Standard SMILES
Nc1ccc(Cc2cc(O)c(N)c(Cl)c2)cc1Cl- InChIKey
NAFQRMMXAUBUQJ-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N2O
- Average molar mass
- 283.15 g/mol
- Monoisotopic mass
- 282.0326684
Names & identifiers
- Preferred name
- 2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol
- IUPAC
- 2-amino-5-[(4-amino-3-chlorophenyl)methyl]-3-chlorophenol
Names & synonyms
CCRIS 40032-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol115084-48-5S2F7A708272-amino-5-[(4-amino-3-chlorophenyl)methyl]-3-chlorophenolUNII-S2F7A70827DTXSID40150952PHENOL, 2-AMINO-5-((4-AMINO-3-CHLOROPHENYL)METHYL)-3-CHLORO-RefChem:85237DTXCID6073443Q278946032-amino-5-[(4-amino-3-chlorophenyl)methyl]-3-chloro-phenol
Database identifiers
- CAS
115084-48-5- PubChem CID
- 146459
- DTXSID
DTXSID40150952- UNII
- S2F7A70827
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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