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6647-97-8 | 1H-pyrazole, 4-iodo-1,3-dimethyl-
CAS No: 6647-97-8 Catalog No: AG00FGCR MDL No:MFCD15146433
Product Description
Catalog Number:
AG00FGCR
Chemical Name:
1H-pyrazole, 4-iodo-1,3-dimethyl-
CAS Number:
6647-97-8
Molecular Formula:
C5H7IN2
Molecular Weight:
222.0269
MDL Number:
MFCD15146433
IUPAC Name:
4-iodo-1,3-dimethylpyrazole
InChI:
InChI=1S/C5H7IN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
InChI Key:
LBTIQTFUCOVWKY-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)C)I
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.965g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.029g/mol
Monoisotopic Mass:
221.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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