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115314-16-4 | Benzenesulfonic acid, 4-chloro-3-nitro-, (2S)-oxiranylmethyl ester (9CI)
CAS No: 115314-16-4 Catalog No: AG000GLW MDL No:
Product Description
Catalog Number:
AG000GLW
Chemical Name:
Benzenesulfonic acid, 4-chloro-3-nitro-, (2S)-oxiranylmethyl ester (9CI)
CAS Number:
115314-16-4
Molecular Formula:
C9H8ClNO6S
Molecular Weight:
293.6809
IUPAC Name:
oxiran-2-ylmethyl 4-chloro-3-nitrobenzenesulfonate
InChI:
InChI=1S/C9H8ClNO6S/c10-8-2-1-7(3-9(8)11(12)13)18(14,15)17-5-6-4-16-6/h1-3,6H,4-5H2
InChI Key:
RLSNBCGWRKVRQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)OC[C@@H]1CO1
NSC Number:
146002
Properties
Complexity:
416
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:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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