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89391-80-0 | Carbamic acid, [(3-methylpyrazinyl)sulfonyl]-, phenyl ester
CAS No: 89391-80-0 Catalog No: AG003WB5 MDL No:
Product Description
Catalog Number:
AG003WB5
Chemical Name:
Carbamic acid, [(3-methylpyrazinyl)sulfonyl]-, phenyl ester
CAS Number:
89391-80-0
Molecular Formula:
C12H11N3O4S
Molecular Weight:
293.2984
IUPAC Name:
phenyl N-(3-methylpyrazin-2-yl)sulfonylcarbamate
InChI:
InChI=1S/C12H11N3O4S/c1-9-11(14-8-7-13-9)20(17,18)15-12(16)19-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChI Key:
JHADJCCCWVNQML-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)c1nccnc1C)Oc1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.297g/mol
Monoisotopic Mass:
293.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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