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34091-51-5 | 5-IODO-1-METHYL-1H-PYRAZOLE
CAS No: 34091-51-5 Catalog No: AG00C86N MDL No:MFCD11109327
Product Description
Catalog Number:
AG00C86N
Chemical Name:
5-IODO-1-METHYL-1H-PYRAZOLE
CAS Number:
34091-51-5
Molecular Formula:
C4H5IN2
Molecular Weight:
208.0004
MDL Number:
MFCD11109327
IUPAC Name:
5-iodo-1-methylpyrazole
InChI:
InChI=1S/C4H5IN2/c1-7-4(5)2-3-6-7/h2-3H,1H3
InChI Key:
RJYWUQWCLZYCTI-UHFFFAOYSA-N
SMILES:
Cn1nccc1I
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:
0.9
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