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918487-09-9 | 4-Iodo-1-isobutyl-1H-pyrazole
CAS No: 918487-09-9 Catalog No: AG006Q6F MDL No:MFCD11054044
Product Description
Catalog Number:
AG006Q6F
Chemical Name:
4-Iodo-1-isobutyl-1H-pyrazole
CAS Number:
918487-09-9
Molecular Formula:
C7H11IN2
Molecular Weight:
250.0801
MDL Number:
MFCD11054044
IUPAC Name:
4-iodo-1-(2-methylpropyl)pyrazole
InChI:
InChI=1S/C7H11IN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
InChI Key:
PTARWFPVOYNYPY-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1)I)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.083g/mol
Monoisotopic Mass:
249.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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