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158214-05-2 | 2-Propenoic acid, 2-(acetylamino)-3-(3,5-difluorophenyl)-, methyl ester, (2Z)-
CAS No: 158214-05-2 Catalog No: AG001Q1Y MDL No:MFCD20528893
Product Description
Catalog Number:
AG001Q1Y
Chemical Name:
2-Propenoic acid, 2-(acetylamino)-3-(3,5-difluorophenyl)-, methyl ester, (2Z)-
CAS Number:
158214-05-2
Molecular Formula:
C12H11F2NO3
Molecular Weight:
255.2174
MDL Number:
MFCD20528893
IUPAC Name:
methyl (Z)-2-acetamido-3-(3,5-difluorophenyl)prop-2-enoate
InChI:
InChI=1S/C12H11F2NO3/c1-7(16)15-11(12(17)18-2)5-8-3-9(13)6-10(14)4-8/h3-6H,1-2H3,(H,15,16)/b11-5-
InChI Key:
HEHBAQWTEUZOLP-WZUFQYTHSA-N
SMILES:
COC(=O)/C(=C/c1cc(F)cc(c1)F)/NC(=O)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
255.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.221g/mol
Monoisotopic Mass:
255.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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