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70168-20-6 | 3-Penten-2-one, 4-amino-5,5,5-trifluoro-
CAS No: 70168-20-6 Catalog No: AG005KRY MDL No:
Product Description
Catalog Number:
AG005KRY
Chemical Name:
3-Penten-2-one, 4-amino-5,5,5-trifluoro-
CAS Number:
70168-20-6
Molecular Formula:
C5H6F3NO
Molecular Weight:
153.1024
IUPAC Name:
4-amino-5,5,5-trifluoropent-3-en-2-one
InChI:
InChI=1S/C5H6F3NO/c1-3(10)2-4(9)5(6,7)8/h2H,9H2,1H3
InChI Key:
JKHLDBLIRJAFDP-UHFFFAOYSA-N
SMILES:
NC(=CC(=O)C)C(F)(F)F
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.104g/mol
Monoisotopic Mass:
153.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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