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Home > Boronic Acids > 849062-34-6
849062-34-6 | (2-Bromo-4,5-difluorophenyl)boronic acid
CAS No: 849062-34-6 Catalog No: AG003GNM MDL No:MFCD06411353
Product Description
Catalog Number:
AG003GNM
Chemical Name:
(2-Bromo-4,5-difluorophenyl)boronic acid
CAS Number:
849062-34-6
Molecular Formula:
C6H4BBrF2O2
Molecular Weight:
236.8066
MDL Number:
MFCD06411353
IUPAC Name:
(2-bromo-4,5-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BBrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
InChI Key:
LUHSZNLWFYNKCZ-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(cc1Br)F)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.946g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.807g/mol
Monoisotopic Mass:
235.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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