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1269440-49-4 | Ethanone, 1-[3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]-
CAS No: 1269440-49-4 Catalog No: AG000WF6 MDL No:MFCD27942846
Product Description
Catalog Number:
AG000WF6
Chemical Name:
Ethanone, 1-[3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl]-
CAS Number:
1269440-49-4
Molecular Formula:
C8H11IN2O
Molecular Weight:
278.0902
MDL Number:
MFCD27942846
IUPAC Name:
1-(3-iodo-1-propan-2-ylpyrazol-4-yl)ethanone
InChI:
InChI=1S/C8H11IN2O/c1-5(2)11-4-7(6(3)12)8(9)10-11/h4-5H,1-3H3
InChI Key:
ALVXXWPPAVGXHP-UHFFFAOYSA-N
SMILES:
CC(=O)c1cn(nc1I)C(C)C
EC Number:
807-940-8
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.093g/mol
Monoisotopic Mass:
277.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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