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2033-45-6 | 1H-Pyrazole, 4-iodo-3,5-dimethyl-
CAS No: 2033-45-6 Catalog No: AG0028SZ MDL No:MFCD00040247
Product Description
Catalog Number:
AG0028SZ
Chemical Name:
1H-Pyrazole, 4-iodo-3,5-dimethyl-
CAS Number:
2033-45-6
Molecular Formula:
C5H7IN2
Molecular Weight:
222.0269
MDL Number:
MFCD00040247
IUPAC Name:
4-iodo-3,5-dimethyl-1H-pyrazole
InChI:
InChI=1S/C5H7IN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChI Key:
MZZXIXHKDJNBJQ-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(c1I)C
NSC Number:
100887
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:
1
Isotope Atom Count:
0
Molecular Weight:
222.029g/mol
Monoisotopic Mass:
221.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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