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113802-83-8 | 1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-nitro-
CAS No: 113802-83-8 Catalog No: AG0009R0 MDL No:
Product Description
Catalog Number:
AG0009R0
Chemical Name:
1H-Pyrazole, 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-nitro-
CAS Number:
113802-83-8
Molecular Formula:
C12H8Cl2F3N3O3
Molecular Weight:
370.1114
IUPAC Name:
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethoxy-4-nitropyrazole
InChI:
InChI=1S/C12H8Cl2F3N3O3/c1-2-23-11-9(20(21)22)5-18-19(11)10-7(13)3-6(4-8(10)14)12(15,16)17/h3-5H,2H2,1H3
InChI Key:
GBPRVOZWZZLNHN-UHFFFAOYSA-N
SMILES:
CCOc1c(cnn1c1c(Cl)cc(cc1Cl)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.989g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.109g/mol
Monoisotopic Mass:
368.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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