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Home > Boronic Acids > 957062-67-8
957062-67-8 | Boronic acid,B-[2-chloro-6-fluoro-3-(phenylmethoxy)phenyl]-
CAS No: 957062-67-8 Catalog No: AG00IJDL MDL No:MFCD09878328
Product Description
Catalog Number:
AG00IJDL
Chemical Name:
Boronic acid,B-[2-chloro-6-fluoro-3-(phenylmethoxy)phenyl]-
CAS Number:
957062-67-8
Molecular Formula:
C13H11BClFO3
Molecular Weight:
280.4870
MDL Number:
MFCD09878328
IUPAC Name:
(2-chloro-6-fluoro-3-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H11BClFO3/c15-13-11(7-6-10(16)12(13)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key:
LXIZYHYNGUDZKO-UHFFFAOYSA-N
SMILES:
OB(c1c(F)ccc(c1Cl)OCc1ccccc1)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.486g/mol
Monoisotopic Mass:
280.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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