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130952-27-1 | Acetic acid, 2-chloro-, 4-sulfophenyl ester, sodium salt (1:1)
CAS No: 130952-27-1 Catalog No: AG000V5K MDL No:
Product Description
Catalog Number:
AG000V5K
Chemical Name:
Acetic acid, 2-chloro-, 4-sulfophenyl ester, sodium salt (1:1)
CAS Number:
130952-27-1
Molecular Formula:
C8H7ClNaO5S
Molecular Weight:
273.6460
IUPAC Name:
sodium;4-(2-chloroacetyl)oxybenzenesulfonate
InChI:
InChI=1S/C8H7ClO5S.Na/c9-5-8(10)14-6-1-3-7(4-2-6)15(11,12)13;/h1-4H,5H2,(H,11,12,13);/q;+1/p-1
InChI Key:
JJPPYKWVLXMVHG-UHFFFAOYSA-M
SMILES:
ClCC(=O)Oc1ccc(cc1)S(=O)(=O)O.[Na]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.952g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.631g/mol
Monoisotopic Mass:
271.952g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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