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113457-27-5 | Benzoic acid, 4-[(2-chlorophenyl)methoxy]-3-methoxy-
CAS No: 113457-27-5 Catalog No: AG0008NE MDL No:MFCD02628391
Product Description
Catalog Number:
AG0008NE
Chemical Name:
Benzoic acid, 4-[(2-chlorophenyl)methoxy]-3-methoxy-
CAS Number:
113457-27-5
Molecular Formula:
C15H13ClO4
Molecular Weight:
292.7143
MDL Number:
MFCD02628391
IUPAC Name:
4-[(2-chlorophenyl)methoxy]-3-methoxybenzoic acid
InChI:
InChI=1S/C15H13ClO4/c1-19-14-8-10(15(17)18)6-7-13(14)20-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,17,18)
InChI Key:
OYGJEFJTAUFTJM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCc1ccccc1Cl)C(=O)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.05g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.715g/mol
Monoisotopic Mass:
292.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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