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Home > Boronic Acids > 1256346-47-0
1256346-47-0 | Boronic acid, B-[2,4-dichloro-5-(phenylmethoxy)phenyl]-
CAS No: 1256346-47-0 Catalog No: AG000O21 MDL No:MFCD17015754
Product Description
Catalog Number:
AG000O21
Chemical Name:
Boronic acid, B-[2,4-dichloro-5-(phenylmethoxy)phenyl]-
CAS Number:
1256346-47-0
Molecular Formula:
C13H11BCl2O3
Molecular Weight:
296.9416
MDL Number:
MFCD17015754
IUPAC Name:
(2,4-dichloro-5-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H11BCl2O3/c15-11-7-12(16)13(6-10(11)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key:
WKVMHOHDMRUZMC-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(cc1OCc1ccccc1)B(O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.938g/mol
Monoisotopic Mass:
296.018g/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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