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Home > Fluorides > 174813-01-5
174813-01-5 | Pyrazin-2-yl[3-(trifluoromethyl)phenyl]methanone
CAS No: 174813-01-5 Catalog No: AG01F9MA MDL No:
Product Description
Catalog Number:
AG01F9MA
Chemical Name:
Pyrazin-2-yl[3-(trifluoromethyl)phenyl]methanone
CAS Number:
174813-01-5
Molecular Formula:
C12H7F3N2O
Molecular Weight:
252.1920
IUPAC Name:
pyrazin-2-yl-[3-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C12H7F3N2O/c13-12(14,15)9-3-1-2-8(6-9)11(18)10-7-16-4-5-17-10/h1-7H
InChI Key:
YIKMNIVMBFIGNE-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(F)(F)F)c1cnccn1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.196g/mol
Monoisotopic Mass:
252.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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