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499770-99-9 | 1-METHYL-1H-IMIDAZOL-5-YL ISOCYANATE
CAS No: 499770-99-9 Catalog No: AG00DG1T MDL No:MFCD05664671
Product Description
Catalog Number:
AG00DG1T
Chemical Name:
1-METHYL-1H-IMIDAZOL-5-YL ISOCYANATE
CAS Number:
499770-99-9
MDL Number:
MFCD05664671
IUPAC Name:
5-isocyanato-1-methylimidazole
InChI:
InChI=1S/C5H5N3O/c1-8-3-6-2-5(8)7-4-9/h2-3H,1H3
InChI Key:
IPPSQWDVJQVAJK-UHFFFAOYSA-N
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.115g/mol
Monoisotopic Mass:
123.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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