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1218790-76-1 | Boronic acid, B-(5-amino-2,4-difluorophenyl)-, hydrochloride (1:1)
CAS No: 1218790-76-1 Catalog No: AG0016AH MDL No:MFCD15143480
Product Description
Catalog Number:
AG0016AH
Chemical Name:
Boronic acid, B-(5-amino-2,4-difluorophenyl)-, hydrochloride (1:1)
CAS Number:
1218790-76-1
Molecular Formula:
C6H7BClF2NO2
Molecular Weight:
209.3861
MDL Number:
MFCD15143480
IUPAC Name:
(5-amino-2,4-difluorophenyl)boronic acid;hydrochloride
InChI:
InChI=1S/C6H6BF2NO2.ClH/c8-4-2-5(9)6(10)1-3(4)7(11)12;/h1-2,11-12H,10H2;1H
InChI Key:
HAKZXGNYHOUDRS-UHFFFAOYSA-N
SMILES:
OB(c1cc(N)c(cc1F)F)O.Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
209.384g/mol
Monoisotopic Mass:
209.023g/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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