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Home > Nitro Compounds > 74752-38-8
74752-38-8 | Benzenethiol,4-(1,1-dimethylethyl)-2-nitro-
CAS No: 74752-38-8 Catalog No: AG005TPK MDL No:
Product Description
Catalog Number:
AG005TPK
Chemical Name:
Benzenethiol,4-(1,1-dimethylethyl)-2-nitro-
CAS Number:
74752-38-8
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
4-tert-butyl-2-nitrobenzenethiol
InChI:
InChI=1S/C10H13NO2S/c1-10(2,3)7-4-5-9(14)8(6-7)11(12)13/h4-6,14H,1-3H3
InChI Key:
RWVZPROTBDMZLY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S)C(C)(C)C
Properties
Complexity:
219
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:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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