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101241-40-1 | Benzene, 1-chloro-4-[(4-methylphenyl)sulfinyl]-2-nitro-
CAS No: 101241-40-1 Catalog No: AG000411 MDL No:
Product Description
Catalog Number:
AG000411
Chemical Name:
Benzene, 1-chloro-4-[(4-methylphenyl)sulfinyl]-2-nitro-
CAS Number:
101241-40-1
Molecular Formula:
C13H10ClNO3S
Molecular Weight:
295.7414
IUPAC Name:
1-chloro-4-(4-methylphenyl)sulfinyl-2-nitrobenzene
InChI:
InChI=1S/C13H10ClNO3S/c1-9-2-4-10(5-3-9)19(18)11-6-7-12(14)13(8-11)15(16)17/h2-8H,1H3
InChI Key:
AUCRHQWLXPKAQD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.007g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.737g/mol
Monoisotopic Mass:
295.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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