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Home > Boronic Acids > 688810-12-0
688810-12-0 | (4-(Difluoromethoxy)phenyl)boronic acid
CAS No: 688810-12-0 Catalog No: AG0033TB MDL No:MFCD09864667
Product Description
Catalog Number:
AG0033TB
Chemical Name:
(4-(Difluoromethoxy)phenyl)boronic acid
CAS Number:
688810-12-0
Molecular Formula:
C7H7BF2O3
Molecular Weight:
187.9365
MDL Number:
MFCD09864667
IUPAC Name:
[4-(difluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H7BF2O3/c9-7(10)13-6-3-1-5(2-4-6)8(11)12/h1-4,7,11-12H
InChI Key:
MFZNJRNTHPKCFY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OC(F)F)O
Properties
Complexity:
149
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:
2
Isotope Atom Count:
0
Molecular Weight:
187.937g/mol
Monoisotopic Mass:
188.046g/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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