Home Carbonyls 3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}propanoic acid

3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}propanoic acid

CAS No.:
1193390-35-0
Catalog Number:
AG019WJZ
Molecular Formula:
C6H8F3NO4
Molecular Weight:
215.1272
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Product Description
Catalog Number:
AG019WJZ
Chemical Name:
3-{[(2,2,2-trifluoroethoxy)carbonyl]amino}propanoic acid
CAS Number:
1193390-35-0
Molecular Formula:
C6H8F3NO4
Molecular Weight:
215.1272
MDL Number:
MFCD12913077
IUPAC Name:
3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C6H8F3NO4/c7-6(8,9)3-14-5(13)10-2-1-4(11)12/h1-3H2,(H,10,13)(H,11,12)
InChI Key:
DXOIWHMKTOCHCM-UHFFFAOYSA-N
SMILES:
OC(=O)CCNC(=O)OCC(F)(F)F
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.041g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.128g/mol
Monoisotopic Mass:
215.041g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties