Home Sulfos 4-(chlorosulfonyl)-3-nitrobenzoic acid

4-(chlorosulfonyl)-3-nitrobenzoic acid

CAS No.:
32571-65-6
Catalog Number:
AG019LB6
Molecular Formula:
C7H4ClNO6S
Molecular Weight:
265.6278
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Product Description
Catalog Number:
AG019LB6
Chemical Name:
4-(chlorosulfonyl)-3-nitrobenzoic acid
CAS Number:
32571-65-6
Molecular Formula:
C7H4ClNO6S
Molecular Weight:
265.6278
MDL Number:
MFCD06254510
IUPAC Name:
4-chlorosulfonyl-3-nitrobenzoic acid
InChI:
InChI=1S/C7H4ClNO6S/c8-16(14,15)6-2-1-4(7(10)11)3-5(6)9(12)13/h1-3H,(H,10,11)
InChI Key:
LUMHLXHPCXMDLB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1S(=O)(=O)Cl)C(=O)O
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