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1260784-01-7 | Methanone, (4,6-dichloro-5-pyrimidinyl)[4-methoxy-2-(trifluoromethyl)phenyl]-
CAS No: 1260784-01-7 Catalog No: AG000R8S MDL No:
Product Description
Catalog Number:
AG000R8S
Chemical Name:
Methanone, (4,6-dichloro-5-pyrimidinyl)[4-methoxy-2-(trifluoromethyl)phenyl]-
CAS Number:
1260784-01-7
Molecular Formula:
C13H7Cl2F3N2O2
Molecular Weight:
351.1081
IUPAC Name:
(4,6-dichloropyrimidin-5-yl)-[4-methoxy-2-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C13H7Cl2F3N2O2/c1-22-6-2-3-7(8(4-6)13(16,17)18)10(21)9-11(14)19-5-20-12(9)15/h2-5H,1H3
InChI Key:
QDELQDTYZKHHLQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(F)(F)F)C(=O)c1c(Cl)ncnc1Cl
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.984g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.106g/mol
Monoisotopic Mass:
349.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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