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2040-46-2 | Benzenamine, 2,3,4,5,6-pentachloro-N-methyl-
CAS No: 2040-46-2 Catalog No: AG00299B MDL No:
Product Description
Catalog Number:
AG00299B
Chemical Name:
Benzenamine, 2,3,4,5,6-pentachloro-N-methyl-
CAS Number:
2040-46-2
Molecular Formula:
C7H4Cl5N
Molecular Weight:
279.3784
IUPAC Name:
2,3,4,5,6-pentachloro-N-methylaniline
InChI:
InChI=1S/C7H4Cl5N/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h13H,1H3
InChI Key:
DAOFIINVTHKDOR-UHFFFAOYSA-N
SMILES:
CNc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.876g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.366g/mol
Monoisotopic Mass:
276.879g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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