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1823431-68-0 | 5-iodo-1-(3-methylbutyl)-1H-pyrazole
CAS No: 1823431-68-0 Catalog No: AG01AOUF MDL No:MFCD28962852
Product Description
Catalog Number:
AG01AOUF
Chemical Name:
5-iodo-1-(3-methylbutyl)-1H-pyrazole
CAS Number:
1823431-68-0
Molecular Formula:
C8H13IN2
Molecular Weight:
264.1067
MDL Number:
MFCD28962852
IUPAC Name:
5-iodo-1-(3-methylbutyl)pyrazole
InChI:
InChI=1S/C8H13IN2/c1-7(2)4-6-11-8(9)3-5-10-11/h3,5,7H,4,6H2,1-2H3
InChI Key:
IAOBGENUTOVLCQ-UHFFFAOYSA-N
SMILES:
CC(CCn1nccc1I)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.012g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.11g/mol
Monoisotopic Mass:
264.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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