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1803601-72-0 | tert-butyl N-(3-cyano-1,2-oxazol-5-yl)carbamate
CAS No: 1803601-72-0 Catalog No: AG01B7WE MDL No:MFCD28397363
Product Description
Catalog Number:
AG01B7WE
Chemical Name:
tert-butyl N-(3-cyano-1,2-oxazol-5-yl)carbamate
CAS Number:
1803601-72-0
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
MDL Number:
MFCD28397363
IUPAC Name:
tert-butyl N-(3-cyano-1,2-oxazol-5-yl)carbamate
InChI:
InChI=1S/C9H11N3O3/c1-9(2,3)14-8(13)11-7-4-6(5-10)12-15-7/h4H,1-3H3,(H,11,13)
InChI Key:
UIEPNKUSEUVEAK-UHFFFAOYSA-N
SMILES:
N#Cc1noc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.205g/mol
Monoisotopic Mass:
209.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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