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Home > Boronic Acids > 1451392-91-8
1451392-91-8 | (3,4-difluoro-2-formylphenyl)boronic acid
CAS No: 1451392-91-8 Catalog No: AG01DDWW MDL No:MFCD23713092
Product Description
Catalog Number:
AG01DDWW
Chemical Name:
(3,4-difluoro-2-formylphenyl)boronic acid
CAS Number:
1451392-91-8
Molecular Formula:
C7H5BF2O3
Molecular Weight:
185.9206
MDL Number:
MFCD23713092
IUPAC Name:
(3,4-difluoro-2-formylphenyl)boronic acid
InChI:
InChI=1S/C7H5BF2O3/c9-6-2-1-5(8(12)13)4(3-11)7(6)10/h1-3,12-13H
InChI Key:
LETVLJWTRCPAMR-UHFFFAOYSA-N
SMILES:
O=Cc1c(ccc(c1F)F)B(O)O
Properties
Complexity:
191
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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