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88952-15-2 | Benzoic acid, 3-methoxy-, 2-acetyl-4-chloro-5-methylphenyl ester
CAS No: 88952-15-2 Catalog No: AG00470Y MDL No:
Product Description
Catalog Number:
AG00470Y
Chemical Name:
Benzoic acid, 3-methoxy-, 2-acetyl-4-chloro-5-methylphenyl ester
CAS Number:
88952-15-2
Molecular Formula:
C17H15ClO4
Molecular Weight:
318.7516
IUPAC Name:
(2-acetyl-4-chloro-5-methylphenyl) 3-methoxybenzoate
InChI:
InChI=1S/C17H15ClO4/c1-10-7-16(14(11(2)19)9-15(10)18)22-17(20)12-5-4-6-13(8-12)21-3/h4-9H,1-3H3
InChI Key:
MDJPTVUPYZQHLM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)Oc1cc(C)c(cc1C(=O)C)Cl
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.066g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.753g/mol
Monoisotopic Mass:
318.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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