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92525-10-5 | 3-Iodo-1-methyl-1H-pyrazole
CAS No: 92525-10-5 Catalog No: AG0036QT MDL No:MFCD08435890
Product Description
Catalog Number:
AG0036QT
Chemical Name:
3-Iodo-1-methyl-1H-pyrazole
CAS Number:
92525-10-5
Molecular Formula:
C4H5IN2
Molecular Weight:
208.0004
MDL Number:
MFCD08435890
IUPAC Name:
3-iodo-1-methylpyrazole
InChI:
InChI=1S/C4H5IN2/c1-7-3-2-4(5)6-7/h2-3H,1H3
InChI Key:
SITJXRWLFQGWCB-UHFFFAOYSA-N
SMILES:
Cn1ccc(n1)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:
0.9
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