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Home > Boronic Acids > 313545-33-4
313545-33-4 | (2-chloro-4-(difluoromethoxy)phenyl)boronic acid
CAS No: 313545-33-4 Catalog No: AG01DK9F MDL No:MFCD20271884
Product Description
Catalog Number:
AG01DK9F
Chemical Name:
(2-chloro-4-(difluoromethoxy)phenyl)boronic acid
CAS Number:
313545-33-4
Molecular Formula:
C7H6BClF2O3
Molecular Weight:
222.3815
MDL Number:
MFCD20271884
IUPAC Name:
[2-chloro-4-(difluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C7H6BClF2O3/c9-6-3-4(14-7(10)11)1-2-5(6)8(12)13/h1-3,7,12-13H
InChI Key:
VGTCSOILLLIGBD-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(c(c1)Cl)B(O)O)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.379g/mol
Monoisotopic Mass:
222.007g/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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