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116228-38-7 | Methanone, (4-iodo-1H-pyrazol-1-yl)phenyl-
CAS No: 116228-38-7 Catalog No: AG000BZB MDL No:MFCD09744026
Product Description
Catalog Number:
AG000BZB
Chemical Name:
Methanone, (4-iodo-1H-pyrazol-1-yl)phenyl-
CAS Number:
116228-38-7
Molecular Formula:
C10H7IN2O
Molecular Weight:
298.0799
MDL Number:
MFCD09744026
IUPAC Name:
(4-iodopyrazol-1-yl)-phenylmethanone
InChI:
InChI=1S/C10H7IN2O/c11-9-6-12-13(7-9)10(14)8-4-2-1-3-5-8/h1-7H
InChI Key:
SIZRABPPWFBRSM-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)C(=O)c1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.083g/mol
Monoisotopic Mass:
297.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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