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102245-02-3 | 2-Propenoic acid, 2-(acetylamino)-3-(4-chlorophenyl)-, methyl ester, (2Z)-
CAS No: 102245-02-3 Catalog No: AG00070X MDL No:
Product Description
Catalog Number:
AG00070X
Chemical Name:
2-Propenoic acid, 2-(acetylamino)-3-(4-chlorophenyl)-, methyl ester, (2Z)-
CAS Number:
102245-02-3
Molecular Formula:
C12H12ClNO3
Molecular Weight:
253.6816
IUPAC Name:
methyl 2-acetamido-3-(4-chlorophenyl)prop-2-enoate
InChI:
InChI=1S/C12H12ClNO3/c1-8(15)14-11(12(16)17-2)7-9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,15)
InChI Key:
SZMVIMNGIUHOFW-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/c1ccc(cc1)Cl)/NC(=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.682g/mol
Monoisotopic Mass:
253.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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