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1354705-22-8 | 5-CYCLOPROPYL-4-IODO-1-METHYL-1H-PYRAZOLE
CAS No: 1354705-22-8 Catalog No: AG01AON5 MDL No:MFCD24539528
Product Description
Catalog Number:
AG01AON5
Chemical Name:
5-CYCLOPROPYL-4-IODO-1-METHYL-1H-PYRAZOLE
CAS Number:
1354705-22-8
Molecular Formula:
C7H9IN2
Molecular Weight:
248.0642
MDL Number:
MFCD24539528
IUPAC Name:
5-cyclopropyl-4-iodo-1-methylpyrazole
InChI:
InChI=1S/C7H9IN2/c1-10-7(5-2-3-5)6(8)4-9-10/h4-5H,2-3H2,1H3
InChI Key:
QJZFZGGEGHGDEE-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1C1CC1)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.067g/mol
Monoisotopic Mass:
247.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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