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1017781-34-8 | 1H-Pyrazol-5-amine, 3-(4-iodophenyl)-1-phenyl-
CAS No: 1017781-34-8 Catalog No: AG0005I8 MDL No:MFCD06738765
Product Description
Catalog Number:
AG0005I8
Chemical Name:
1H-Pyrazol-5-amine, 3-(4-iodophenyl)-1-phenyl-
CAS Number:
1017781-34-8
Molecular Formula:
C15H12IN3
Molecular Weight:
361.1803
MDL Number:
MFCD06738765
IUPAC Name:
5-(4-iodophenyl)-2-phenylpyrazol-3-amine
InChI:
InChI=1S/C15H12IN3/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,17H2
InChI Key:
FLXQDKZROUTIQQ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1nn(c(c1)N)c1ccccc1
Properties
Complexity:
285
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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