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1597-19-9 | Propanoyl chloride, 2-[(trifluoroacetyl)amino]- (9CI)
CAS No: 1597-19-9 Catalog No: AG001RBO MDL No:
Product Description
Catalog Number:
AG001RBO
Chemical Name:
Propanoyl chloride, 2-[(trifluoroacetyl)amino]- (9CI)
CAS Number:
1597-19-9
Molecular Formula:
C5H5ClF3NO2
Molecular Weight:
203.5469
IUPAC Name:
2-[(2,2,2-trifluoroacetyl)amino]propanoyl chloride
InChI:
InChI=1S/C5H5ClF3NO2/c1-2(3(6)11)10-4(12)5(7,8)9/h2H,1H3,(H,10,12)
InChI Key:
HSEUXFSGFQCJCU-UHFFFAOYSA-N
SMILES:
CC(C(=O)Cl)NC(=O)C(F)(F)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.545g/mol
Monoisotopic Mass:
202.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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