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Home > Boronic Acids > 475652-18-7
475652-18-7 | {4-[(4-chlorophenyl)methoxy]-3-methylphenyl}boronic acid
CAS No: 475652-18-7 Catalog No: AG01ALB8 MDL No:MFCD19120349
Product Description
Catalog Number:
AG01ALB8
Chemical Name:
{4-[(4-chlorophenyl)methoxy]-3-methylphenyl}boronic acid
CAS Number:
475652-18-7
Molecular Formula:
C14H14BClO3
Molecular Weight:
276.5232
MDL Number:
MFCD19120349
IUPAC Name:
[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]boronic acid
InChI:
InChI=1S/C14H14BClO3/c1-10-8-12(15(17)18)4-7-14(10)19-9-11-2-5-13(16)6-3-11/h2-8,17-18H,9H2,1H3
InChI Key:
AOVSUAJHCGSCBH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COc1ccc(cc1C)B(O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.523g/mol
Monoisotopic Mass:
276.072g/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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