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Home > Nitro Compounds > 90005-97-3
90005-97-3 | 1-methoxy-2-(methylsulfanyl)-4-nitrobenzene
CAS No: 90005-97-3 Catalog No: AG01C27P MDL No:MFCD22488848
Product Description
Catalog Number:
AG01C27P
Chemical Name:
1-methoxy-2-(methylsulfanyl)-4-nitrobenzene
CAS Number:
90005-97-3
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD22488848
IUPAC Name:
1-methoxy-2-methylsulfanyl-4-nitrobenzene
InChI:
InChI=1S/C8H9NO3S/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3
InChI Key:
JCCWGJSBIYKYLS-UHFFFAOYSA-N
SMILES:
CSc1cc(ccc1OC)[N+](=O)[O-]
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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