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102093-85-6

102093-85-6 | Carbonochloridic acid, 2-[(4-nitrophenyl)sulfonyl]ethyl ester

CAS No: 102093-85-6 Catalog No: AG0006LH MDL No:

Product Description

Catalog Number:
AG0006LH
Chemical Name:
Carbonochloridic acid, 2-[(4-nitrophenyl)sulfonyl]ethyl ester
CAS Number:
102093-85-6
Molecular Formula:
C9H8ClNO6S
Molecular Weight:
293.6809
IUPAC Name:
2-(4-nitrophenyl)sulfonylethyl carbonochloridate
InChI:
InChI=1S/C9H8ClNO6S/c10-9(12)17-5-6-18(15,16)8-3-1-7(2-4-8)11(13)14/h1-4H,5-6H2
InChI Key:
SMXRTMUZFUNIPY-UHFFFAOYSA-N
SMILES:
ClC(=O)OCCS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.976g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.674g/mol
Monoisotopic Mass:
292.976g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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