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Home > Boronic Acids > 1072952-42-1
1072952-42-1 | (5-Chloro-2-fluoro-4-methylphenyl);boronic acid
CAS No: 1072952-42-1 Catalog No: AG0084WB MDL No:MFCD07368241
Product Description
Catalog Number:
AG0084WB
Chemical Name:
(5-Chloro-2-fluoro-4-methylphenyl);boronic acid
CAS Number:
1072952-42-1
Molecular Formula:
C7H7BClFO2
Molecular Weight:
188.3917
MDL Number:
MFCD07368241
IUPAC Name:
(5-chloro-2-fluoro-4-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BClFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3,11-12H,1H3
InChI Key:
ZNHMLMCKIJDZKL-UHFFFAOYSA-N
SMILES:
OB(c1cc(Cl)c(cc1F)C)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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