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732223-56-2

732223-56-2 | 2-methyl-5-nitrobenzene-1-sulfinic acid

CAS No: 732223-56-2 Catalog No: AG01C4R4 MDL No:MFCD18430856

Product Description

Catalog Number:
AG01C4R4
Chemical Name:
2-methyl-5-nitrobenzene-1-sulfinic acid
CAS Number:
732223-56-2
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD18430856
IUPAC Name:
2-methyl-5-nitrobenzenesulfinic acid
InChI:
InChI=1S/C7H7NO4S/c1-5-2-3-6(8(9)10)4-7(5)13(11)12/h2-4H,1H3,(H,11,12)
InChI Key:
RCDAJKSUDFEUGV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)O)C

Properties

Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.196g/mol
Monoisotopic Mass:
201.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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