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1207176-04-2 | Tert-Butyl4-cyano-3-hydroxyisothiazol-5-ylcarbamate
CAS No: 1207176-04-2 Catalog No: AG0094MH MDL No:
Product Description
Catalog Number:
AG0094MH
Chemical Name:
Tert-Butyl4-cyano-3-hydroxyisothiazol-5-ylcarbamate
CAS Number:
1207176-04-2
IUPAC Name:
tert-butyl N-(4-cyano-3-oxo-1,2-thiazol-5-yl)carbamate
InChI:
InChI=1S/C9H11N3O3S/c1-9(2,3)15-8(14)11-7-5(4-10)6(13)12-16-7/h1-3H3,(H,11,14)(H,12,13)
InChI Key:
VGWGEHDKRQPAJJ-UHFFFAOYSA-N
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.265g/mol
Monoisotopic Mass:
241.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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