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Home > Boronic Acids > 508235-16-3
508235-16-3 | (2,3-Difluoro-4-methylphenyl);boronic acid
CAS No: 508235-16-3 Catalog No: AG006VPU MDL No:MFCD09751348
Product Description
Catalog Number:
AG006VPU
Chemical Name:
(2,3-Difluoro-4-methylphenyl);boronic acid
CAS Number:
508235-16-3
Molecular Formula:
C7H7BF2O2
Molecular Weight:
171.9371
MDL Number:
MFCD09751348
IUPAC Name:
(2,3-difluoro-4-methylphenyl)boronic acid
InChI:
InChI=1S/C7H7BF2O2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3,11-12H,1H3
InChI Key:
ZSNYLXVAUJWEMN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1F)F)C)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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