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Home > Boronic Acids > 915401-97-7
915401-97-7 | (4-(Difluoromethoxy)-3,5-difluorophenyl)boronic acid
CAS No: 915401-97-7 Catalog No: AG0036RI MDL No:MFCD08272029
Product Description
Catalog Number:
AG0036RI
Chemical Name:
(4-(Difluoromethoxy)-3,5-difluorophenyl)boronic acid
CAS Number:
915401-97-7
Molecular Formula:
C7H5BF4O3
Molecular Weight:
223.9174
MDL Number:
MFCD08272029
IUPAC Name:
[4-(difluoromethoxy)-3,5-difluorophenyl]boronic acid
InChI:
InChI=1S/C7H5BF4O3/c9-4-1-3(8(13)14)2-5(10)6(4)15-7(11)12/h1-2,7,13-14H
InChI Key:
MMZMGLLJCWTMAV-UHFFFAOYSA-N
SMILES:
OB(c1cc(F)c(c(c1)F)OC(F)F)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.918g/mol
Monoisotopic Mass:
224.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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