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Home > Boronic Acids > 917969-79-0
917969-79-0 | 3,5-DIFLUORO-4-(HYDROXYMETHYL)PHENYLBORONIC ACID
CAS No: 917969-79-0 Catalog No: AG00GSKE MDL No:MFCD03095141
Product Description
Catalog Number:
AG00GSKE
Chemical Name:
3,5-DIFLUORO-4-(HYDROXYMETHYL)PHENYLBORONIC ACID
CAS Number:
917969-79-0
Molecular Formula:
C7H7BF2O3
Molecular Weight:
187.9365
MDL Number:
MFCD03095141
IUPAC Name:
[3,5-difluoro-4-(hydroxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H7BF2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2,11-13H,3H2
InChI Key:
ZAVFFEDOMNZWQE-UHFFFAOYSA-N
SMILES:
OCc1c(F)cc(cc1F)B(O)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.937g/mol
Monoisotopic Mass:
188.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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