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1345471-37-5 | 5-Iodo-3-methyl-1-(oxan-2-yl)pyrazole
CAS No: 1345471-37-5 Catalog No: AG009X85 MDL No:MFCD20441934
Product Description
Catalog Number:
AG009X85
Chemical Name:
5-Iodo-3-methyl-1-(oxan-2-yl)pyrazole
CAS Number:
1345471-37-5
Molecular Formula:
C9H13IN2O
Molecular Weight:
292.1168
MDL Number:
MFCD20441934
IUPAC Name:
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
InChI:
InChI=1S/C9H13IN2O/c1-7-6-8(10)12(11-7)9-4-2-3-5-13-9/h6,9H,2-5H2,1H3
InChI Key:
GDUHNQSYXPRGHA-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)I)C1CCCCO1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.007g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.12g/mol
Monoisotopic Mass:
292.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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