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Home > Boronic Acids > 1007170-24-2
1007170-24-2 | Boronic acid, B-[4-chloro-3-(phenylmethoxy)phenyl]-
CAS No: 1007170-24-2 Catalog No: AG0002PF MDL No:MFCD08701723
Product Description
Catalog Number:
AG0002PF
Chemical Name:
Boronic acid, B-[4-chloro-3-(phenylmethoxy)phenyl]-
CAS Number:
1007170-24-2
Molecular Formula:
C13H12BClO3
Molecular Weight:
262.4966
MDL Number:
MFCD08701723
IUPAC Name:
(4-chloro-3-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H12BClO3/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChI Key:
ZTFFXVLPGHNNKQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)OCc1ccccc1)Cl)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.496g/mol
Monoisotopic Mass:
262.057g/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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