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15802-75-2 | 1H-Pyrazole, 4-iodo-3-methyl-
CAS No: 15802-75-2 Catalog No: AG001PWW MDL No:MFCD09908176
Product Description
Catalog Number:
AG001PWW
Chemical Name:
1H-Pyrazole, 4-iodo-3-methyl-
CAS Number:
15802-75-2
Molecular Formula:
C4H5IN2
Molecular Weight:
208.0004
MDL Number:
MFCD09908176
IUPAC Name:
4-iodo-5-methyl-1H-pyrazole
InChI:
InChI=1S/C4H5IN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
InChI Key:
SHDMYGCRVXWTGR-UHFFFAOYSA-N
SMILES:
Ic1c[nH]nc1C
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:
1
Isotope Atom Count:
0
Molecular Weight:
208.002g/mol
Monoisotopic Mass:
207.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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