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115661-38-6 | Benzonitrile, 2-amino-5-methoxy-, hydrochloride (1:1)
CAS No: 115661-38-6 Catalog No: AG000GP7 MDL No:MFCD18909469
Product Description
Catalog Number:
AG000GP7
Chemical Name:
Benzonitrile, 2-amino-5-methoxy-, hydrochloride (1:1)
CAS Number:
115661-38-6
Molecular Formula:
C8H9ClN2O
Molecular Weight:
184.6229
MDL Number:
MFCD18909469
IUPAC Name:
2-amino-5-methoxybenzonitrile;hydrochloride
InChI:
InChI=1S/C8H8N2O.ClH/c1-11-7-2-3-8(10)6(4-7)5-9;/h2-4H,10H2,1H3;1H
InChI Key:
MJWXYQXNVUUIHJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C#N)N.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.623g/mol
Monoisotopic Mass:
184.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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