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1332605-83-0 | Benzonitrile, 4-amino-3-hydroxy-, hydrochloride (1:1)
CAS No: 1332605-83-0 Catalog No: AG0014I2 MDL No:
Product Description
Catalog Number:
AG0014I2
Chemical Name:
Benzonitrile, 4-amino-3-hydroxy-, hydrochloride (1:1)
CAS Number:
1332605-83-0
Molecular Formula:
C7H7ClN2O
Molecular Weight:
170.5963
IUPAC Name:
4-amino-3-hydroxybenzonitrile;hydrochloride
InChI:
InChI=1S/C7H6N2O.ClH/c8-4-5-1-2-6(9)7(10)3-5;/h1-3,10H,9H2;1H
InChI Key:
QDCPSCRTSPIJTJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)O)N.Cl
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
170.596g/mol
Monoisotopic Mass:
170.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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