Home Sulfos 3-(chlorosulfonyl)-2-nitrobenzoic acid

3-(chlorosulfonyl)-2-nitrobenzoic acid

CAS No.:
1864062-56-5
Catalog Number:
AG01ACD1
Molecular Formula:
C7H4ClNO6S
Molecular Weight:
265.6278
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Product Description
Catalog Number:
AG01ACD1
Chemical Name:
3-(chlorosulfonyl)-2-nitrobenzoic acid
CAS Number:
1864062-56-5
Molecular Formula:
C7H4ClNO6S
Molecular Weight:
265.6278
MDL Number:
MFCD29033729
IUPAC Name:
3-chlorosulfonyl-2-nitrobenzoic acid
InChI:
InChI=1S/C7H4ClNO6S/c8-16(14,15)5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:
DREAVMRQMNHMMF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1[N+](=O)[O-])S(=O)(=O)Cl
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.945g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.62g/mol
Monoisotopic Mass:
264.945g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties