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Home > Boronic Acids > 1256358-70-9
1256358-70-9 | Boronic acid, B-[3-[(4-chlorophenoxy)methyl]phenyl]-
CAS No: 1256358-70-9 Catalog No: AG000O5E MDL No:MFCD16198500
Product Description
Catalog Number:
AG000O5E
Chemical Name:
Boronic acid, B-[3-[(4-chlorophenoxy)methyl]phenyl]-
CAS Number:
1256358-70-9
Molecular Formula:
C13H12BClO3
Molecular Weight:
262.4966
MDL Number:
MFCD16198500
IUPAC Name:
[3-[(4-chlorophenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C13H12BClO3/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-8,16-17H,9H2
InChI Key:
PCSYEFAEONRRRW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCc1cccc(c1)B(O)O
Properties
Complexity:
244
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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