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Home > Boronic Acids > 957065-87-1
957065-87-1 | (2,6-Difluoro-4-hydroxyphenyl);boronic acid
CAS No: 957065-87-1 Catalog No: AG00H815 MDL No:MFCD09878344
Product Description
Catalog Number:
AG00H815
Chemical Name:
(2,6-Difluoro-4-hydroxyphenyl);boronic acid
CAS Number:
957065-87-1
Molecular Formula:
C6H5BF2O3
Molecular Weight:
173.9099
MDL Number:
MFCD09878344
IUPAC Name:
(2,6-difluoro-4-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H5BF2O3/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2,10-12H
InChI Key:
JPAMLWIQHDPWGK-UHFFFAOYSA-N
SMILES:
Oc1cc(F)c(c(c1)F)B(O)O
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.91g/mol
Monoisotopic Mass:
174.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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