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7434-70-0

7434-70-0 | Benzenesulfonic acid, 2-methyl-4-nitro-

CAS No: 7434-70-0 Catalog No: AG008QFT MDL No:

Product Description

Catalog Number:
AG008QFT
Chemical Name:
Benzenesulfonic acid, 2-methyl-4-nitro-
CAS Number:
7434-70-0
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
IUPAC Name:
2-methyl-4-nitrobenzenesulfonic acid
InChI:
InChI=1S/C7H7NO5S/c1-5-4-6(8(9)10)2-3-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)
InChI Key:
XCSZUHHAYFILGO-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1S(=O)(=O)O)[N+](=O)[O-]
UNII:
3XXB406HA9

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.004g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.195g/mol
Monoisotopic Mass:
217.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Literature

Title Journal
A study on physical and chemical properties of cellulose paper immersed in various solvent mixtures. International journal of molecular sciences 20080101

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