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71759-87-0 | 4-iodo-1-methyl-1H-imidazole
CAS No: 71759-87-0 Catalog No: AG00342P MDL No:MFCD01632214
Product Description
Catalog Number:
AG00342P
Chemical Name:
4-iodo-1-methyl-1H-imidazole
CAS Number:
71759-87-0
Molecular Formula:
C4H5IN2
Molecular Weight:
208.0004
MDL Number:
MFCD01632214
IUPAC Name:
4-iodo-1-methylimidazole
InChI:
InChI=1S/C4H5IN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
InChI Key:
HUQSHNLGOKQVHA-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1)I
Properties
Complexity:
66.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.95g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.002g/mol
Monoisotopic Mass:
207.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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