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Home > Boronic Acids > 1150114-59-2
1150114-59-2 | Boronic acid, B-(4,5-difluoro-2-nitrophenyl)-
CAS No: 1150114-59-2 Catalog No: AG000FMI MDL No:MFCD11855853
Product Description
Catalog Number:
AG000FMI
Chemical Name:
Boronic acid, B-(4,5-difluoro-2-nitrophenyl)-
CAS Number:
1150114-59-2
Molecular Formula:
C6H4BF2NO4
Molecular Weight:
202.9081
MDL Number:
MFCD11855853
IUPAC Name:
(4,5-difluoro-2-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H4BF2NO4/c8-4-1-3(7(11)12)6(10(13)14)2-5(4)9/h1-2,11-12H
InChI Key:
CAHNMXZHYNLNCI-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(cc1[N+](=O)[O-])F)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.908g/mol
Monoisotopic Mass:
203.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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