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Home > Nitro Compounds > 861516-18-9
861516-18-9 | 1-[(2-methylpropyl)sulfanyl]-4-nitrobenzene
CAS No: 861516-18-9 Catalog No: AG00IDXI MDL No:
Product Description
Catalog Number:
AG00IDXI
Chemical Name:
1-[(2-methylpropyl)sulfanyl]-4-nitrobenzene
CAS Number:
861516-18-9
IUPAC Name:
1-(2-methylpropylsulfanyl)-4-nitrobenzene
InChI:
InChI=1S/C10H13NO2S/c1-8(2)7-14-10-5-3-9(4-6-10)11(12)13/h3-6,8H,7H2,1-2H3
InChI Key:
SQEMFSLSYFXXEW-UHFFFAOYSA-N
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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