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88382-48-3 | Benzoic acid, 4-[(4-chlorophenoxy)methyl]-
CAS No: 88382-48-3 Catalog No: AG004FR6 MDL No:MFCD00175938
Product Description
Catalog Number:
AG004FR6
Chemical Name:
Benzoic acid, 4-[(4-chlorophenoxy)methyl]-
CAS Number:
88382-48-3
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
MDL Number:
MFCD00175938
IUPAC Name:
4-[(4-chlorophenoxy)methyl]benzoic acid
InChI:
InChI=1S/C14H11ClO3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key:
RCEYSQYPPMHENR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCc1ccc(cc1)C(=O)O
Properties
Complexity:
266
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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