Home Other Building Blocks [(2,2,2-trifluoroethyl)carbamoyl]formic acid

[(2,2,2-trifluoroethyl)carbamoyl]formic acid

CAS No.:
1156726-64-5
Catalog Number:
AG01ACHL
Molecular Formula:
C4H4F3NO3
Molecular Weight:
171.0747
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Product Description
Catalog Number:
AG01ACHL
Chemical Name:
[(2,2,2-trifluoroethyl)carbamoyl]formic acid
CAS Number:
1156726-64-5
Molecular Formula:
C4H4F3NO3
Molecular Weight:
171.0747
MDL Number:
MFCD12171696
IUPAC Name:
2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid
InChI:
InChI=1S/C4H4F3NO3/c5-4(6,7)1-8-2(9)3(10)11/h1H2,(H,8,9)(H,10,11)
InChI Key:
XOLOJRHEZRSINZ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)NCC(F)(F)F
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.014g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.075g/mol
Monoisotopic Mass:
171.014g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties