2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-amine
Basic information
- CAS
380584-27-0- Standard SMILES
COc1ccc(-n2nc3ccc(N)cc3n2)cc1Cl- InChIKey
OXCYKAHSAZUSBK-UHFFFAOYSA-N- Molecular formula
- C13H11ClN4O
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0621387
Names & identifiers
- Preferred name
- 2-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-amine
- IUPAC
- 2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amine
- English name
- 2-(3-Chloro-4-methoxy-phenyl)-2H-benzotriazol-5-ylamine
- Molecular formula
- C13H11ClN4O
- Molecular weight
- 274.71
Names & synonyms
380584-27-02-(3-chloro-4-methoxyphenyl)-2H-1,2,3-benzotriazol-5-amine2-(3-chloro-4-methoxyphenyl)-2H-benzo[d][1,2,3]triazol-5-amine2-(3-chloro-4-methoxyphenyl)benzotriazol-5-amineMLS001211662MFCD026284172-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-amine2-(3-Chloro-4-methoxy-phenyl)-2H-benzotriazol-5-ylamineSMR0005189082-(3-chloro-4-methoxy-phenyl)benzotriazol-5-amine2H-1,2,3-benzotriazol-5-amine, 2-(3-chloro-4-methoxyphenyl)-Oprea1_156066
Show more names
AKOS BB-8216ASISCHEM T30986ART-CHEM-BB B025254TIMTEC-BB SBB0097742-(3-chloro-4-methoxyphenyl)-5-benzotriazolamine[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]amine2H-Benzotriazol-5-amine, 2-(3-chloro-4-methoxyphenyl)-
cid_741095CHEMBL1609305SCHEMBL15289648BDBM83947DTXSID801325843HMS2821I17ALBB-026900BBL009517
Database identifiers
- CAS
380584-27-0- PubChem CID
- 741095
- DTXSID
DTXSID801325843- ChEMBL
CHEMBL1609305
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
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