Home Nitros 3-(methylsulfanyl)-2-nitrobenzoic acid

3-(methylsulfanyl)-2-nitrobenzoic acid

CAS No.:
1548867-26-0
Catalog Number:
AG01AF2G
Molecular Formula:
C8H7NO4S
Molecular Weight:
213.2105
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Product Description
Catalog Number:
AG01AF2G
Chemical Name:
3-(methylsulfanyl)-2-nitrobenzoic acid
CAS Number:
1548867-26-0
Molecular Formula:
C8H7NO4S
Molecular Weight:
213.2105
MDL Number:
MFCD22489492
IUPAC Name:
3-methylsulfanyl-2-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO4S/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
QCGRWQKRLQGPSA-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1[N+](=O)[O-])C(=O)O
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.207g/mol
Monoisotopic Mass:
213.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties