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Home > Boronic Acids > 871125-93-8
871125-93-8 | (2,6-Difluoro-4-formylphenyl);boronic acid
CAS No: 871125-93-8 Catalog No: AG004P6M MDL No:MFCD10697422
Product Description
Catalog Number:
AG004P6M
Chemical Name:
(2,6-Difluoro-4-formylphenyl);boronic acid
CAS Number:
871125-93-8
Molecular Formula:
C7H5BF2O3
Molecular Weight:
185.9206
MDL Number:
MFCD10697422
IUPAC Name:
(2,6-difluoro-4-formylphenyl)boronic acid
InChI:
InChI=1S/C7H5BF2O3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-3,12-13H
InChI Key:
NQBHBNIZBDDDRH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)c(c(c1)F)B(O)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.921g/mol
Monoisotopic Mass:
186.03g/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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