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88952-13-0 | Benzoic acid, 4-methyl-, 2-acetyl-4-chloro-6-methylphenyl ester
CAS No: 88952-13-0 Catalog No: AG00470Z MDL No:
Product Description
Catalog Number:
AG00470Z
Chemical Name:
Benzoic acid, 4-methyl-, 2-acetyl-4-chloro-6-methylphenyl ester
CAS Number:
88952-13-0
Molecular Formula:
C17H15ClO3
Molecular Weight:
302.7522
IUPAC Name:
(2-acetyl-4-chloro-6-methylphenyl) 4-methylbenzoate
InChI:
InChI=1S/C17H15ClO3/c1-10-4-6-13(7-5-10)17(20)21-16-11(2)8-14(18)9-15(16)12(3)19/h4-9H,1-3H3
InChI Key:
DQKAEAHCRDEXBE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)Oc1c(C)cc(cc1C(=O)C)Cl
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.754g/mol
Monoisotopic Mass:
302.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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