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1426424-00-1 | 3-iodo-1H,4H,5H,6H-cyclopenta[c]pyrazole
CAS No: 1426424-00-1 Catalog No: AG00HWJP MDL No:MFCD26406995
Product Description
Catalog Number:
AG00HWJP
Chemical Name:
3-iodo-1H,4H,5H,6H-cyclopenta[c]pyrazole
CAS Number:
1426424-00-1
Molecular Formula:
C6H7IN2
Molecular Weight:
234.0377
MDL Number:
MFCD26406995
IUPAC Name:
3-iodo-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
InChI:
InChI=1S/C6H7IN2/c7-6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)
InChI Key:
VDMYDFPQXAWWLE-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1CCC2
Properties
Complexity:
118
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:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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