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302569-44-4 | Benzoic acid, 3-[(3-chlorophenyl)methoxy]-
CAS No: 302569-44-4 Catalog No: AG002ZDB MDL No:MFCD00743039
Product Description
Catalog Number:
AG002ZDB
Chemical Name:
Benzoic acid, 3-[(3-chlorophenyl)methoxy]-
CAS Number:
302569-44-4
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
MDL Number:
MFCD00743039
IUPAC Name:
3-[(3-chlorophenyl)methoxy]benzoic acid
InChI:
InChI=1S/C14H11ClO3/c15-12-5-1-3-10(7-12)9-18-13-6-2-4-11(8-13)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key:
KBJNBGAXZRIWHP-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COc1cccc(c1)C(=O)O
Properties
Complexity:
282
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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