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196393-87-0 | Benzonitrile, 3-amino-, hydrochloride (1:1)
CAS No: 196393-87-0 Catalog No: AG01FB2U MDL No:
Product Description
Catalog Number:
AG01FB2U
Chemical Name:
Benzonitrile, 3-amino-, hydrochloride (1:1)
CAS Number:
196393-87-0
Molecular Formula:
C7H7ClN2
Molecular Weight:
154.5969
IUPAC Name:
3-aminobenzonitrile;hydrochloride
InChI:
InChI=1S/C7H6N2.ClH/c8-5-6-2-1-3-7(9)4-6;/h1-4H,9H2;1H
InChI Key:
BAVHLQSKWBWHQB-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N.Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.597g/mol
Monoisotopic Mass:
154.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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