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115787-79-6 | Benzene, 1,3-dichloro-4-fluoro-5-nitro-2-[3-(trifluoromethyl)phenoxy]-
CAS No: 115787-79-6 Catalog No: AG000GVG MDL No:
Product Description
Catalog Number:
AG000GVG
Chemical Name:
Benzene, 1,3-dichloro-4-fluoro-5-nitro-2-[3-(trifluoromethyl)phenoxy]-
CAS Number:
115787-79-6
Molecular Formula:
C13H5Cl2F4NO3
Molecular Weight:
370.0833
IUPAC Name:
1,3-dichloro-4-fluoro-5-nitro-2-[3-(trifluoromethyl)phenoxy]benzene
InChI:
InChI=1S/C13H5Cl2F4NO3/c14-8-5-9(20(21)22)11(16)10(15)12(8)23-7-3-1-2-6(4-7)13(17,18)19/h1-5H
InChI Key:
HZGDPCTVVDGQHH-UHFFFAOYSA-N
SMILES:
Clc1cc([N+](=O)[O-])c(c(c1Oc1cccc(c1)C(F)(F)F)Cl)F
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.958g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.081g/mol
Monoisotopic Mass:
368.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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