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24086-18-8 | 5-iodo-4-methyl-1H-pyrazole
CAS No: 24086-18-8 Catalog No: AG00I4N3 MDL No:MFCD20230556
Product Description
Catalog Number:
AG00I4N3
Chemical Name:
5-iodo-4-methyl-1H-pyrazole
CAS Number:
24086-18-8
Molecular Formula:
C4H5IN2
Molecular Weight:
208.0004
MDL Number:
MFCD20230556
IUPAC Name:
5-iodo-4-methyl-1H-pyrazole
InChI:
InChI=1S/C4H5IN2/c1-3-2-6-7-4(3)5/h2H,1H3,(H,6,7)
InChI Key:
LLMUDCINLAXPAP-UHFFFAOYSA-N
SMILES:
Cc1cn[nH]c1I
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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