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1345471-61-5 | 1-Butyl-5-iodopyrazole
CAS No: 1345471-61-5 Catalog No: AG007M36 MDL No:MFCD20441942
Product Description
Catalog Number:
AG007M36
Chemical Name:
1-Butyl-5-iodopyrazole
CAS Number:
1345471-61-5
Molecular Formula:
C7H11IN2
Molecular Weight:
250.0801
MDL Number:
MFCD20441942
IUPAC Name:
1-butyl-5-iodopyrazole
InChI:
InChI=1S/C7H11IN2/c1-2-3-6-10-7(8)4-5-9-10/h4-5H,2-3,6H2,1H3
InChI Key:
GTXVZUDUDAVKOQ-UHFFFAOYSA-N
SMILES:
CCCCn1nccc1I
Properties
Complexity:
97.6
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:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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