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89329-16-8 | 2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester
CAS No: 89329-16-8 Catalog No: AG003YER MDL No:
Product Description
Catalog Number:
AG003YER
Chemical Name:
2-Propenoic acid, 3-phenyl-, 4-chloro-3,5-dimethylphenyl ester
CAS Number:
89329-16-8
Molecular Formula:
C17H15ClO2
Molecular Weight:
286.7528
IUPAC Name:
(4-chloro-3,5-dimethylphenyl) 3-phenylprop-2-enoate
InChI:
InChI=1S/C17H15ClO2/c1-12-10-15(11-13(2)17(12)18)20-16(19)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3
InChI Key:
ZVJZBEHVBFHLPG-UHFFFAOYSA-N
SMILES:
O=C(Oc1cc(C)c(c(c1)C)Cl)C=Cc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.755g/mol
Monoisotopic Mass:
286.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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