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81217-08-5 | N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-iodo-4-methyl-benzamide
CAS No: 81217-08-5 Catalog No: AG00GJMV MDL No:
Product Description
Catalog Number:
AG00GJMV
Chemical Name:
N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-iodo-4-methyl-benzamide
CAS Number:
81217-08-5
IUPAC Name:
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-iodo-4-methylbenzamide
InChI:
InChI=1S/C19H18IN3O2/c1-12-9-10-14(11-16(12)20)18(24)21-17-13(2)22(3)23(19(17)25)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,21,24)
InChI Key:
LOEYJQYMBWTTQH-UHFFFAOYSA-N
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.044g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.276g/mol
Monoisotopic Mass:
447.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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