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130841-23-5 | Benzene, 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitro-
CAS No: 130841-23-5 Catalog No: AG000V01 MDL No:
Product Description
Catalog Number:
AG000V01
Chemical Name:
Benzene, 1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitro-
CAS Number:
130841-23-5
Molecular Formula:
C9H3Cl2F6NO3
Molecular Weight:
358.0214
IUPAC Name:
1,4-dichloro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-nitrobenzene
InChI:
InChI=1S/C9H3Cl2F6NO3/c10-3-2-6(4(11)1-5(3)18(19)20)21-9(16,17)7(12)8(13,14)15/h1-2,7H
InChI Key:
WDTRKHSHZIJORU-UHFFFAOYSA-N
SMILES:
FC(C(Oc1cc(Cl)c(cc1Cl)[N+](=O)[O-])(F)F)C(F)(F)F
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.939g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.017g/mol
Monoisotopic Mass:
356.939g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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