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29173-60-2 | Benzene, 1,2,3,4,5-pentachloro-6-isocyanato-
CAS No: 29173-60-2 Catalog No: AG002XKV MDL No:
Product Description
Catalog Number:
AG002XKV
Chemical Name:
Benzene, 1,2,3,4,5-pentachloro-6-isocyanato-
CAS Number:
29173-60-2
Molecular Formula:
C7Cl5NO
Molecular Weight:
291.3460
IUPAC Name:
1,2,3,4,5-pentachloro-6-isocyanatobenzene
InChI:
InChI=1S/C7Cl5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
InChI Key:
XYUCULXRVSQDCG-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.839g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.333g/mol
Monoisotopic Mass:
288.842g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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