Home Sulfos 4-Nitrobenzenemethanesulfonic acid sodium salt

4-Nitrobenzenemethanesulfonic acid sodium salt

CAS No.:
36639-50-6
Catalog Number:
AG00CHR2
Molecular Formula:
C7H6NNaO5S
Molecular Weight:
239.1810
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Product Description
Catalog Number:
AG00CHR2
Chemical Name:
4-Nitrobenzenemethanesulfonic acid sodium salt
CAS Number:
36639-50-6
Molecular Formula:
C7H6NNaO5S
Molecular Weight:
239.1810
MDL Number:
MFCD02334757
IUPAC Name:
sodium;(4-nitrophenyl)methanesulfonate
InChI:
InChI=1S/C7H7NO5S.Na/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13;/h1-4H,5H2,(H,11,12,13);/q;+1/p-1
InChI Key:
SXZUSZBEGNFCDZ-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc(cc1)CS(=O)(=O)[O-].[Na+]
EC Number:
609-277-8
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.986g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.177g/mol
Monoisotopic Mass:
238.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties