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1354704-24-7 | 4-IODO-3-METHYL-1-PROPYL-1H-PYRAZOLE
CAS No: 1354704-24-7 Catalog No: AG01AON7 MDL No:MFCD24115725
Product Description
Catalog Number:
AG01AON7
Chemical Name:
4-IODO-3-METHYL-1-PROPYL-1H-PYRAZOLE
CAS Number:
1354704-24-7
Molecular Formula:
C7H11IN2
Molecular Weight:
250.0801
MDL Number:
MFCD24115725
IUPAC Name:
4-iodo-3-methyl-1-propylpyrazole
InChI:
InChI=1S/C7H11IN2/c1-3-4-10-5-7(8)6(2)9-10/h5H,3-4H2,1-2H3
InChI Key:
GRLRSOADANACRR-UHFFFAOYSA-N
SMILES:
CCCn1cc(c(n1)C)I
Properties
Complexity:
108
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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