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204277-06-5 | 3-(isocyanatomethyl)-1,2-oxazole
CAS No: 204277-06-5 Catalog No: AG019ZBJ MDL No:MFCD22378583
Product Description
Catalog Number:
AG019ZBJ
Chemical Name:
3-(isocyanatomethyl)-1,2-oxazole
CAS Number:
204277-06-5
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
MDL Number:
MFCD22378583
IUPAC Name:
3-(isocyanatomethyl)-1,2-oxazole
InChI:
InChI=1S/C5H4N2O2/c8-4-6-3-5-1-2-9-7-5/h1-2H,3H2
InChI Key:
JZIBPATUFXGOTG-UHFFFAOYSA-N
SMILES:
C(c1ccon1)N=C=O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.099g/mol
Monoisotopic Mass:
124.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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