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Home > Boronic Acids > 1619980-13-0
1619980-13-0 | (2,4-difluoro-3-methylphenyl)boronic acid
CAS No: 1619980-13-0 Catalog No: AG00HYPF MDL No:MFCD23712890
Product Description
Catalog Number:
AG00HYPF
Chemical Name:
(2,4-difluoro-3-methylphenyl)boronic acid
CAS Number:
1619980-13-0
Molecular Formula:
C7H7BF2O2
Molecular Weight:
171.9371
MDL Number:
MFCD23712890
IUPAC Name:
(2,4-difluoro-3-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BF2O2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3,11-12H,1H3
InChI Key:
UEVQAPSBQZFLML-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1F)C)F)O
Properties
Complexity:
156
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:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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