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Home > Boronic Acids > 849061-98-9
849061-98-9 | (2-Fluoro-3-formylphenyl)boronic acid
CAS No: 849061-98-9 Catalog No: AG003H8O MDL No:MFCD07369725
Product Description
Catalog Number:
AG003H8O
Chemical Name:
(2-Fluoro-3-formylphenyl)boronic acid
CAS Number:
849061-98-9
Molecular Formula:
C7H6BFO3
Molecular Weight:
167.9301
MDL Number:
MFCD07369725
IUPAC Name:
(2-fluoro-3-formylphenyl)boronic acid
InChI:
InChI=1S/C7H6BFO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4,11-12H
InChI Key:
YJXJCPZHXDDRNH-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1F)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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