Home Boronic acids (2-Amino-4-cyanophenyl)boronic acid hydrochloride

(2-Amino-4-cyanophenyl)boronic acid hydrochloride

CAS No.:
850568-47-7
Catalog Number:
AG003GF4
Molecular Formula:
C7H8BClN2O2
Molecular Weight:
198.4146
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Product Description
Catalog Number:
AG003GF4
Chemical Name:
(2-Amino-4-cyanophenyl)boronic acid hydrochloride
CAS Number:
850568-47-7
Molecular Formula:
C7H8BClN2O2
Molecular Weight:
198.4146
MDL Number:
MFCD06659820
IUPAC Name:
(2-amino-4-cyanophenyl)boronic acid;hydrochloride
InChI:
InChI=1S/C7H7BN2O2.ClH/c9-4-5-1-2-6(8(11)12)7(10)3-5;/h1-3,11-12H,10H2;1H
InChI Key:
XTCOKKVEUFHXBE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)B(O)O.Cl
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.037g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
198.413g/mol
Monoisotopic Mass:
198.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties