200,000+ products from a single source!
sales@angenechem.com
89619-80-7 | 3-Butenoic acid, 2-[(trichloroacetyl)amino]-
CAS No: 89619-80-7 Catalog No: AG003X8Z MDL No:
Product Description
Catalog Number:
AG003X8Z
Chemical Name:
3-Butenoic acid, 2-[(trichloroacetyl)amino]-
CAS Number:
89619-80-7
Molecular Formula:
C6H6Cl3NO3
Molecular Weight:
246.4757
IUPAC Name:
2-[(2,2,2-trichloroacetyl)amino]but-3-enoic acid
InChI:
InChI=1S/C6H6Cl3NO3/c1-2-3(4(11)12)10-5(13)6(7,8)9/h2-3H,1H2,(H,10,13)(H,11,12)
InChI Key:
CLBNBIPMQNSLLX-UHFFFAOYSA-N
SMILES:
C=CC(C(=O)O)NC(=O)C(Cl)(Cl)Cl
NSC Number:
343697
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.941g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.468g/mol
Monoisotopic Mass:
244.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.