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1341758-26-6 | 3-Cyclopropyl-4-iodo-2H-pyrazole
CAS No: 1341758-26-6 Catalog No: AG00HT8W MDL No:MFCD24539492
Product Description
Catalog Number:
AG00HT8W
Chemical Name:
3-Cyclopropyl-4-iodo-2H-pyrazole
CAS Number:
1341758-26-6
Molecular Formula:
C6H7IN2
Molecular Weight:
234.0377
MDL Number:
MFCD24539492
IUPAC Name:
5-cyclopropyl-4-iodo-1H-pyrazole
InChI:
InChI=1S/C6H7IN2/c7-5-3-8-9-6(5)4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChI Key:
VPRBOUPCQZBZAW-UHFFFAOYSA-N
SMILES:
Ic1cn[nH]c1C1CC1
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:
1.4
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