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1977-85-1 | Benzene, 2,4-dichloro-1,5-difluoro-3-nitro-
CAS No: 1977-85-1 Catalog No: AG002AZH MDL No:
Product Description
Catalog Number:
AG002AZH
Chemical Name:
Benzene, 2,4-dichloro-1,5-difluoro-3-nitro-
CAS Number:
1977-85-1
Molecular Formula:
C6HCl2F2NO2
Molecular Weight:
227.9804
IUPAC Name:
2,4-dichloro-1,5-difluoro-3-nitrobenzene
InChI:
InChI=1S/C6HCl2F2NO2/c7-4-2(9)1-3(10)5(8)6(4)11(12)13/h1H
InChI Key:
VGDZGWPMCGMBEO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)c(F)cc(c1Cl)F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.976g/mol
Monoisotopic Mass:
226.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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