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Home > Nitro Compounds > 7205-66-5
7205-66-5 | Benzene, 1-[(1,1-dimethylethyl)thio]-4-nitro-
CAS No: 7205-66-5 Catalog No: AG00FHCW MDL No:
Product Description
Catalog Number:
AG00FHCW
Chemical Name:
Benzene, 1-[(1,1-dimethylethyl)thio]-4-nitro-
CAS Number:
7205-66-5
IUPAC Name:
1-tert-butylsulfanyl-4-nitrobenzene
InChI:
InChI=1S/C10H13NO2S/c1-10(2,3)14-9-6-4-8(5-7-9)11(12)13/h4-7H,1-3H3
InChI Key:
XDUPGYBBARIWPQ-UHFFFAOYSA-N
Properties
Complexity:
199
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:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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