3-(3-Aminophenyl)benzonitrile Hydrochloride - CAS 1049744-24-2
Catalog: |
BB061400 |
Product Name: |
3-(3-Aminophenyl)benzonitrile Hydrochloride |
CAS: |
1049744-24-2 |
Synonyms: |
3-(3-Aminophenyl)benzonitrile, HCl; 3'-Aminobiphenyl-3-carbonitrile hydrochloride; 3'-Amino-[1,1'-biphenyl]-3-carbonitrile hydrochloride; 3-(3-aminophenyl)benzonitrile; hydrochloride; 3'-amino-biphenyl-3-carbonitrile hydrochloride; 3-(3-aminophenyl)benzonitrile Hydrochloride; 3-(3-Aminophenyl)benzonitrile HCl |
IUPAC Name: | 3-(3-aminophenyl)benzonitrilehydrochloride |
Molecular Weight: | 194.23+(36.46) |
Molecular Formula: | C13H10N2·HCl |
Canonical SMILES: | C1=CC(=CC(=C1)C2=CC(=CC=C2)N)C#N.Cl |
InChI: | InChI=1S/C13H10N2.ClH/c14-9-10-3-1-4-11(7-10)12-5-2-6-13(15)8-12/h1-8H,15H21H |
InChI Key: | NYOUTQMBXQFWJN-UHFFFAOYSA-N |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.0610761 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.0610761 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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