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263389-52-2 | Benzene, 1,2-dichloro-4-[isocyano[(4-methylphenyl)sulfonyl]methyl]-
CAS No: 263389-52-2 Catalog No: AG002ST8 MDL No:MFCD04114810
Product Description
Catalog Number:
AG002ST8
Chemical Name:
Benzene, 1,2-dichloro-4-[isocyano[(4-methylphenyl)sulfonyl]methyl]-
CAS Number:
263389-52-2
Molecular Formula:
C15H11Cl2NO2S
Molecular Weight:
340.2243
MDL Number:
MFCD04114810
IUPAC Name:
1,2-dichloro-4-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
InChI:
InChI=1S/C15H11Cl2NO2S/c1-10-3-6-12(7-4-10)21(19,20)15(18-2)11-5-8-13(16)14(17)9-11/h3-9,15H,1H3
InChI Key:
KNIKDPRISVIPBU-UHFFFAOYSA-N
SMILES:
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.989g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.218g/mol
Monoisotopic Mass:
338.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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