200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 200876-77-3
200876-77-3 | 2-(Trifluoroacetamido)butanedioic acid
CAS No: 200876-77-3 Catalog No: AG01EUHJ MDL No:
Product Description
Catalog Number:
AG01EUHJ
Chemical Name:
2-(Trifluoroacetamido)butanedioic acid
CAS Number:
200876-77-3
Molecular Formula:
C6H6F3NO5
Molecular Weight:
229.1107
IUPAC Name:
2-[(2,2,2-trifluoroacetyl)amino]butanedioic acid
InChI:
InChI=1S/C6H6F3NO5/c7-6(8,9)5(15)10-2(4(13)14)1-3(11)12/h2H,1H2,(H,10,15)(H,11,12)(H,13,14)
InChI Key:
NTFULCXLYCSQIW-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)O)NC(=O)C(F)(F)F
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.111g/mol
Monoisotopic Mass:
229.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
© 2019 Angene International Limited. All rights Reserved.