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Home > Fluorides > 100482-56-2
100482-56-2 | 2-Buten-1-one, 1-(9-anthracenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-
CAS No: 100482-56-2 Catalog No: AG00023V MDL No:
Product Description
Catalog Number:
AG00023V
Chemical Name:
2-Buten-1-one, 1-(9-anthracenyl)-4,4,4-trifluoro-3-(trifluoromethyl)-
CAS Number:
100482-56-2
Molecular Formula:
C19H10F6O
Molecular Weight:
368.2725
IUPAC Name:
1-anthracen-9-yl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-1-one
InChI:
InChI=1S/C19H10F6O/c20-18(21,22)16(19(23,24)25)10-15(26)17-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17/h1-10H
InChI Key:
PYROREKRSROOQY-UHFFFAOYSA-N
SMILES:
O=C(c1c2ccccc2cc2c1cccc2)C=C(C(F)(F)F)C(F)(F)F
NSC Number:
162051
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.064g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.278g/mol
Monoisotopic Mass:
368.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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