200,000+ products from a single source!
sales@angenechem.com
1234321-81-3 | 2-Butenoic acid, 3-(acetylamino)-4-(2,4,5-trifluorophenyl)-, methyl ester, (2Z)-
CAS No: 1234321-81-3 Catalog No: AG000KKC MDL No:MFCD20528894
Product Description
Catalog Number:
AG000KKC
Chemical Name:
2-Butenoic acid, 3-(acetylamino)-4-(2,4,5-trifluorophenyl)-, methyl ester, (2Z)-
CAS Number:
1234321-81-3
Molecular Formula:
C13H12F3NO3
Molecular Weight:
287.2345
MDL Number:
MFCD20528894
IUPAC Name:
methyl (Z)-3-acetamido-4-(2,4,5-trifluorophenyl)but-2-enoate
InChI:
InChI=1S/C13H12F3NO3/c1-7(18)17-9(5-13(19)20-2)3-8-4-11(15)12(16)6-10(8)14/h4-6H,3H2,1-2H3,(H,17,18)/b9-5-
InChI Key:
IZFJPBWBAPIUAN-UITAMQMPSA-N
SMILES:
COC(=O)/C=C(/Cc1cc(F)c(cc1F)F)\NC(=O)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
287.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.238g/mol
Monoisotopic Mass:
287.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.