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Home > Boronic Acids > 374538-01-9
374538-01-9 | Boronic acid, (4-fluoro-3-formylphenyl)-
CAS No: 374538-01-9 Catalog No: AG00I7D6 MDL No:MFCD02093074
Product Description
Catalog Number:
AG00I7D6
Chemical Name:
Boronic acid, (4-fluoro-3-formylphenyl)-
CAS Number:
374538-01-9
Molecular Formula:
C7H6BFO3
Molecular Weight:
167.9301
MDL Number:
MFCD02093074
IUPAC Name:
(4-fluoro-3-formylphenyl)boronic acid
InChI:
InChI=1S/C7H6BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H
InChI Key:
YABSTJQEBSKPCG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1F)B(O)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.93g/mol
Monoisotopic Mass:
168.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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