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129-81-7 | 3H-Pyrazol-3-one, 1,2-dihydro-4-iodo-1,5-dimethyl-2-phenyl-
CAS No: 129-81-7 Catalog No: AG000YR7 MDL No:
Product Description
Catalog Number:
AG000YR7
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-4-iodo-1,5-dimethyl-2-phenyl-
CAS Number:
129-81-7
Molecular Formula:
C11H11IN2O
Molecular Weight:
314.1223
IUPAC Name:
4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one
InChI:
InChI=1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
ZZOBLCHCPLOXCE-UHFFFAOYSA-N
SMILES:
Ic1c(C)n(n(c1=O)c1ccccc1)C
EC Number:
204-966-6
UNII:
V30V6H1QX4
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.126g/mol
Monoisotopic Mass:
313.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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