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Home > Boronic Acids > 944128-92-1
944128-92-1 | (4-Chloro-2-fluoro-3-methylphenyl)boronic acid
CAS No: 944128-92-1 Catalog No: AG00II57 MDL No:MFCD18447609
Product Description
Catalog Number:
AG00II57
Chemical Name:
(4-Chloro-2-fluoro-3-methylphenyl)boronic acid
CAS Number:
944128-92-1
Molecular Formula:
C7H7BClFO2
Molecular Weight:
188.3917
MDL Number:
MFCD18447609
IUPAC Name:
(4-chloro-2-fluoro-3-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BClFO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,11-12H,1H3
InChI Key:
GEQUDJQVXRZIIK-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1F)C)Cl)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.389g/mol
Monoisotopic Mass:
188.021g/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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