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Home > Boronic Acids > 854690-87-2
854690-87-2 | [3-(difluoromethyl)phenyl]boronic acid
CAS No: 854690-87-2 Catalog No: AG0036BY MDL No:MFCD09864670
Product Description
Catalog Number:
AG0036BY
Chemical Name:
[3-(difluoromethyl)phenyl]boronic acid
CAS Number:
854690-87-2
Molecular Formula:
C7H7BF2O2
Molecular Weight:
171.9371
MDL Number:
MFCD09864670
IUPAC Name:
[3-(difluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H7BF2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7,11-12H
InChI Key:
MYJVGNXKXAYCTH-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)C(F)F)O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.938g/mol
Monoisotopic Mass:
172.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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