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87639-76-7 | Propanoyl chloride, 3-[(trifluoroacetyl)amino]-
CAS No: 87639-76-7 Catalog No: AG004HJH MDL No:MFCD24551336
Product Description
Catalog Number:
AG004HJH
Chemical Name:
Propanoyl chloride, 3-[(trifluoroacetyl)amino]-
CAS Number:
87639-76-7
Molecular Formula:
C5H5ClF3NO2
Molecular Weight:
203.5469
MDL Number:
MFCD24551336
IUPAC Name:
3-[(2,2,2-trifluoroacetyl)amino]propanoyl chloride
InChI:
InChI=1S/C5H5ClF3NO2/c6-3(11)1-2-10-4(12)5(7,8)9/h1-2H2,(H,10,12)
InChI Key:
KCEFNIBAECYMBB-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)NCCC(=O)Cl
Properties
Complexity:
192
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:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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