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119873-35-7

119873-35-7 | Benzenethiol, 5-methyl-2-nitro-

CAS No: 119873-35-7 Catalog No: AG000PSL MDL No:

Product Description

Catalog Number:
AG000PSL
Chemical Name:
Benzenethiol, 5-methyl-2-nitro-
CAS Number:
119873-35-7
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
IUPAC Name:
5-methyl-2-nitrobenzenethiol
InChI:
InChI=1S/C7H7NO2S/c1-5-2-3-6(8(9)10)7(11)4-5/h2-4,11H,1H3
InChI Key:
FODMENUTCDMLSC-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S)[N+](=O)[O-]

Properties

Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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