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Home > Nitro Compounds > 860734-15-2
860734-15-2 | 2-methoxy-4-(methylsulfanyl)-1-nitrobenzene
CAS No: 860734-15-2 Catalog No: AG01BG8U MDL No:MFCD22489310
Product Description
Catalog Number:
AG01BG8U
Chemical Name:
2-methoxy-4-(methylsulfanyl)-1-nitrobenzene
CAS Number:
860734-15-2
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD22489310
IUPAC Name:
2-methoxy-4-methylsulfanyl-1-nitrobenzene
InChI:
InChI=1S/C8H9NO3S/c1-12-8-5-6(13-2)3-4-7(8)9(10)11/h3-5H,1-2H3
InChI Key:
MFJDNQWUCNGTSE-UHFFFAOYSA-N
SMILES:
COc1cc(SC)ccc1[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:
2.2
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