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84403-70-3 | 4-((3-Chlorobenzyl)oxy)benzoic acid
CAS No: 84403-70-3 Catalog No: AG004X5W MDL No:MFCD04114337
Product Description
Catalog Number:
AG004X5W
Chemical Name:
4-((3-Chlorobenzyl)oxy)benzoic acid
CAS Number:
84403-70-3
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
MDL Number:
MFCD04114337
IUPAC Name:
4-[(3-chlorophenyl)methoxy]benzoic acid
InChI:
InChI=1S/C14H11ClO3/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key:
QMXPJNHJNFUZAT-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COc1ccc(cc1)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.689g/mol
Monoisotopic Mass:
262.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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