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119346-70-2 | 2-Propenoic acid, 2-chloro-3-(4-methylphenyl)-, ethyl ester, (Z)- (9CI)
CAS No: 119346-70-2 Catalog No: AG000IMX MDL No:
Product Description
Catalog Number:
AG000IMX
Chemical Name:
2-Propenoic acid, 2-chloro-3-(4-methylphenyl)-, ethyl ester, (Z)- (9CI)
CAS Number:
119346-70-2
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
IUPAC Name:
ethyl 2-chloro-3-(4-methylphenyl)prop-2-enoate
InChI:
InChI=1S/C12H13ClO2/c1-3-15-12(14)11(13)8-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChI Key:
TTZWKCYBBDQONU-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/c1ccc(cc1)C)/Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.684g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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