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70168-22-8 | 2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-
CAS No: 70168-22-8 Catalog No: AG005KRX MDL No:
Product Description
Catalog Number:
AG005KRX
Chemical Name:
2-Buten-1-one, 3-amino-4,4,4-trifluoro-1-phenyl-
CAS Number:
70168-22-8
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
IUPAC Name:
3-amino-4,4,4-trifluoro-1-phenylbut-2-en-1-one
InChI:
InChI=1S/C10H8F3NO/c11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7/h1-6H,14H2
InChI Key:
TUUKLDIAZOOYSM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C=C(C(F)(F)F)N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.175g/mol
Monoisotopic Mass:
215.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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