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Home > Boronic Acids > 871125-90-5
871125-90-5 | (4-((2-Chlorobenzyl)oxy)phenyl)boronic acid
CAS No: 871125-90-5 Catalog No: AG008FFB MDL No:MFCD11540655
Product Description
Catalog Number:
AG008FFB
Chemical Name:
(4-((2-Chlorobenzyl)oxy)phenyl)boronic acid
CAS Number:
871125-90-5
Molecular Formula:
C13H12BClO3
Molecular Weight:
262.4966
MDL Number:
MFCD11540655
IUPAC Name:
[4-[(2-chlorophenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H12BClO3/c15-13-4-2-1-3-10(13)9-18-12-7-5-11(6-8-12)14(16)17/h1-8,16-17H,9H2
InChI Key:
KJAUPLTZVSARIS-UHFFFAOYSA-N
SMILES:
Clc1ccccc1COc1ccc(cc1)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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