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Home > Nitro Compounds > 1803607-50-2
1803607-50-2 | 1,2-dimethyl-5-(methylsulfanyl)-3-nitrobenzene
CAS No: 1803607-50-2 Catalog No: AG01BGN4 MDL No:MFCD28139399
Product Description
Catalog Number:
AG01BGN4
Chemical Name:
1,2-dimethyl-5-(methylsulfanyl)-3-nitrobenzene
CAS Number:
1803607-50-2
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD28139399
IUPAC Name:
1,2-dimethyl-5-methylsulfanyl-3-nitrobenzene
InChI:
InChI=1S/C9H11NO2S/c1-6-4-8(13-3)5-9(7(6)2)10(11)12/h4-5H,1-3H3
InChI Key:
YNBNESRUDOIDSP-UHFFFAOYSA-N
SMILES:
CSc1cc(C)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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