2-Chloro-N-(3,4,5-trimethoxyphenyl)benzene-1-carboximidamide
Basic information
- CAS
23564-80-9- Standard SMILES
COc1cc(N=C(N)c2ccccc2Cl)cc(OC)c1OC- InChIKey
IGMASGXNMYWBOR-UHFFFAOYSA-N- Molecular formula
- C16H17ClN2O3
- Average molar mass
- 320.77 g/mol
- Monoisotopic mass
- 320.0927701
Names & identifiers
- Preferred name
- 2-Chloro-N-(3,4,5-trimethoxyphenyl)benzene-1-carboximidamide
- IUPAC
- 2-chloro-N'-(3,4,5-trimethoxyphenyl)benzenecarboximidamide
- English name
- o-Chloro-N-(3,4,5-trimethoxyphenyl)benzamidine
- Molecular formula
- C16H17ClN2O3
- Molecular weight
- 320.77
Names & synonyms
23564-80-9DTXSID909463422-Chloro-N-(3,4,5-trimethoxyphenyl)benzene-1-carboximidamideRefChem:1062816DTXCID901374631o-Chloro-N-(3,4,5-trimethoxyphenyl)benzamidineBRN 2887419Benzamidine, o-chloro-N-(3,4,5-trimethoxyphenyl)-Benzenecarboximidamide, 2-chloro-N-(3,4,5-trimethoxyphenyl)-SCHEMBL28572778
Database identifiers
- CAS
23564-80-9- PubChem CID
- 211764
- DTXSID
DTXSID90946342- Nikkaji
- J73.158G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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