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28525-08-8 | Acetic acid, 2-diazo-2-[(4-methylphenyl)sulfonyl]-, ethyl ester
CAS No: 28525-08-8 Catalog No: AG002VLX MDL No:
Product Description
Catalog Number:
AG002VLX
Chemical Name:
Acetic acid, 2-diazo-2-[(4-methylphenyl)sulfonyl]-, ethyl ester
CAS Number:
28525-08-8
Molecular Formula:
C11H12N2O4S
Molecular Weight:
268.2890
IUPAC Name:
ethyl 2-diazo-2-(4-methylphenyl)sulfonylacetate
InChI:
InChI=1S/C11H12N2O4S/c1-3-17-11(14)10(13-12)18(15,16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChI Key:
PMKCGVRMXOWDQA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=[N+]=[N-])S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.287g/mol
Monoisotopic Mass:
268.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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