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Home > Boronic Acids > 849062-33-5
849062-33-5 | (3-((3-Chlorobenzyl)oxy)phenyl)boronic acid
CAS No: 849062-33-5 Catalog No: AG004PUO MDL No:MFCD06411352
Product Description
Catalog Number:
AG004PUO
Chemical Name:
(3-((3-Chlorobenzyl)oxy)phenyl)boronic acid
CAS Number:
849062-33-5
Molecular Formula:
C13H12BClO3
Molecular Weight:
262.4966
MDL Number:
MFCD06411352
IUPAC Name:
[3-[(3-chlorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H12BClO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8,16-17H,9H2
InChI Key:
ZSNYOIJMFZLJES-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COc1cccc(c1)B(O)O
Properties
Complexity:
252
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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