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Home > Nitro Compounds > 77189-94-7
77189-94-7 | Benzene, 1,3,5-trimethyl-2-[(4-nitrophenyl)thio]-
CAS No: 77189-94-7 Catalog No: AG005P4Y MDL No:
Product Description
Catalog Number:
AG005P4Y
Chemical Name:
Benzene, 1,3,5-trimethyl-2-[(4-nitrophenyl)thio]-
CAS Number:
77189-94-7
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
IUPAC Name:
1,3,5-trimethyl-2-(4-nitrophenyl)sulfanylbenzene
InChI:
InChI=1S/C15H15NO2S/c1-10-8-11(2)15(12(3)9-10)19-14-6-4-13(5-7-14)16(17)18/h4-9H,1-3H3
InChI Key:
SMCOLHKSYNAOLI-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1Sc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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