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863753-30-4 | 2-Aminophenylboronic acid hydrochloride
CAS No: 863753-30-4 Catalog No: AG004PZB MDL No:MFCD02258096
Product Description
Catalog Number:
AG004PZB
Chemical Name:
2-Aminophenylboronic acid hydrochloride
CAS Number:
863753-30-4
Molecular Formula:
C6H9BClNO2
Molecular Weight:
173.4052
MDL Number:
MFCD02258096
IUPAC Name:
(2-aminophenyl)boronic acid;hydrochloride
InChI:
InChI=1S/C6H8BNO2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,9-10H,8H2;1H
InChI Key:
WPDASZCYRKGSTO-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1N)O.Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
173.403g/mol
Monoisotopic Mass:
173.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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