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Home > Boronic Acids > 845551-44-2
845551-44-2 | (4-(Benzyloxy);-3-chlorophenyl);boronic acid
CAS No: 845551-44-2 Catalog No: AG004UQG MDL No:MFCD04115642
Product Description
Catalog Number:
AG004UQG
Chemical Name:
(4-(Benzyloxy);-3-chlorophenyl);boronic acid
CAS Number:
845551-44-2
Molecular Formula:
C13H12BClO3
Molecular Weight:
262.4966
MDL Number:
MFCD04115642
IUPAC Name:
(3-chloro-4-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H12BClO3/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChI Key:
AYSMMNDQVZAXQY-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCc1ccccc1)B(O)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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