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1218791-06-0 | 1H-Pyrazole, 5-cyclopropyl-3-iodo-
CAS No: 1218791-06-0 Catalog No: AG0016B1 MDL No:MFCD13195723
Product Description
Catalog Number:
AG0016B1
Chemical Name:
1H-Pyrazole, 5-cyclopropyl-3-iodo-
CAS Number:
1218791-06-0
Molecular Formula:
C6H7IN2
Molecular Weight:
234.0376
MDL Number:
MFCD13195723
IUPAC Name:
5-cyclopropyl-3-iodo-1H-pyrazole
InChI:
InChI=1S/C6H7IN2/c7-6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChI Key:
UENBHIUAGUROSO-UHFFFAOYSA-N
SMILES:
Ic1cc([nH]n1)C1CC1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.965g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.04g/mol
Monoisotopic Mass:
233.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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