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Home > Boronic Acids > 1106676-82-7
1106676-82-7 | 4-broMo-2,5-difluorophenylboronic acid
CAS No: 1106676-82-7 Catalog No: AG0095KG MDL No:MFCD07644467
Product Description
Catalog Number:
AG0095KG
Chemical Name:
4-broMo-2,5-difluorophenylboronic acid
CAS Number:
1106676-82-7
Molecular Formula:
C6H4BBrF2O2
Molecular Weight:
236.8066
MDL Number:
MFCD07644467
IUPAC Name:
(4-bromo-2,5-difluorophenyl)boronic acid
InChI:
InChI=1S/C6H4BBrF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2,11-12H
InChI Key:
RWBIJRFCSHAOGQ-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(cc1F)Br)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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