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1017781-35-9 | 1H-Pyrazol-5-amine, 3-(3-iodophenyl)-1-phenyl-
CAS No: 1017781-35-9 Catalog No: AG0005I7 MDL No:MFCD06738298
Product Description
Catalog Number:
AG0005I7
Chemical Name:
1H-Pyrazol-5-amine, 3-(3-iodophenyl)-1-phenyl-
CAS Number:
1017781-35-9
Molecular Formula:
C15H12IN3
Molecular Weight:
361.1803
MDL Number:
MFCD06738298
IUPAC Name:
5-(3-iodophenyl)-2-phenylpyrazol-3-amine
InChI:
InChI=1S/C15H12IN3/c16-12-6-4-5-11(9-12)14-10-15(17)19(18-14)13-7-2-1-3-8-13/h1-10H,17H2
InChI Key:
BGBSKFFBYFTNEZ-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)c1cc(n(n1)c1ccccc1)N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.008g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.186g/mol
Monoisotopic Mass:
361.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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