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13665-49-1 | Benzene, 1,2,3,4,5-pentachloro-6-nitroso-
CAS No: 13665-49-1 Catalog No: AG00126X MDL No:
Product Description
Catalog Number:
AG00126X
Chemical Name:
Benzene, 1,2,3,4,5-pentachloro-6-nitroso-
CAS Number:
13665-49-1
Molecular Formula:
C6Cl5NO
Molecular Weight:
279.3353
IUPAC Name:
1,2,3,4,5-pentachloro-6-nitrosobenzene
InChI:
InChI=1S/C6Cl5NO/c7-1-2(8)4(10)6(12-13)5(11)3(1)9
InChI Key:
XDONTVVGRICUEF-UHFFFAOYSA-N
SMILES:
O=Nc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.839g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.322g/mol
Monoisotopic Mass:
276.842g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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