200,000+ products from a single source!
sales@angenechem.com
1151240-89-9 | 2-Butenoic acid, 3-amino-4-(2,4,5-trifluorophenyl)-, ethyl ester
CAS No: 1151240-89-9 Catalog No: AG000GB2 MDL No:
Product Description
Catalog Number:
AG000GB2
Chemical Name:
2-Butenoic acid, 3-amino-4-(2,4,5-trifluorophenyl)-, ethyl ester
CAS Number:
1151240-89-9
Molecular Formula:
C12H12F3NO2
Molecular Weight:
259.2244
IUPAC Name:
ethyl (Z)-3-amino-4-(2,4,5-trifluorophenyl)but-2-enoate
InChI:
InChI=1S/C12H12F3NO2/c1-2-18-12(17)5-8(16)3-7-4-10(14)11(15)6-9(7)13/h4-6H,2-3,16H2,1H3/b8-5-
InChI Key:
SFBGUVPIIJRHFD-YVMONPNESA-N
SMILES:
CCOC(=O)C=C(Cc1cc(F)c(cc1F)F)N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.228g/mol
Monoisotopic Mass:
259.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.