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113791-92-7 | Benzonitrile, 2,3,4,5-tetrachloro-6-methyl-
CAS No: 113791-92-7 Catalog No: AG0009OI MDL No:
Product Description
Catalog Number:
AG0009OI
Chemical Name:
Benzonitrile, 2,3,4,5-tetrachloro-6-methyl-
CAS Number:
113791-92-7
Molecular Formula:
C8H3Cl4N
Molecular Weight:
254.9281
IUPAC Name:
2,3,4,5-tetrachloro-6-methylbenzonitrile
InChI:
InChI=1S/C8H3Cl4N/c1-3-4(2-13)6(10)8(12)7(11)5(3)9/h1H3
InChI Key:
MFDODTYLILXZPK-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)c(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.899g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.919g/mol
Monoisotopic Mass:
252.902g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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