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1823913-73-0 | 5-Oxazolecarbonitrile, 2-iodo-4-methyl-
CAS No: 1823913-73-0 Catalog No: AG0023S9 MDL No:MFCD27922820
Product Description
Catalog Number:
AG0023S9
Chemical Name:
5-Oxazolecarbonitrile, 2-iodo-4-methyl-
CAS Number:
1823913-73-0
Molecular Formula:
C5H3IN2O
Molecular Weight:
233.9946
MDL Number:
MFCD27922820
IUPAC Name:
2-iodo-4-methyl-1,3-oxazole-5-carbonitrile
InChI:
InChI=1S/C5H3IN2O/c1-3-4(2-7)9-5(6)8-3/h1H3
InChI Key:
BZYKTLBHVZKZBG-UHFFFAOYSA-N
SMILES:
N#Cc1oc(nc1C)I
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.929g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.996g/mol
Monoisotopic Mass:
233.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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