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1256355-32-4 | Boronic acid, B-(4-amino-3-fluorophenyl)-, hydrochloride (1:1)
CAS No: 1256355-32-4 Catalog No: AG000O3C MDL No:MFCD11867880
Product Description
Catalog Number:
AG000O3C
Chemical Name:
Boronic acid, B-(4-amino-3-fluorophenyl)-, hydrochloride (1:1)
CAS Number:
1256355-32-4
Molecular Formula:
C6H8BClFNO2
Molecular Weight:
191.3956
MDL Number:
MFCD11867880
IUPAC Name:
(4-amino-3-fluorophenyl)boronic acid;hydrochloride
InChI:
InChI=1S/C6H7BFNO2.ClH/c8-5-3-4(7(10)11)1-2-6(5)9;/h1-3,10-11H,9H2;1H
InChI Key:
NXCNVCKJELIVDM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)F)N)O.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.032g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
191.393g/mol
Monoisotopic Mass:
191.032g/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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