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1003992-24-2 | 4-o-Tolyl-2-p-tolyl-2H-pyrazol-3-ylamine
CAS No: 1003992-24-2 Catalog No: AG01FBRA MDL No:
Product Description
Catalog Number:
AG01FBRA
Chemical Name:
4-o-Tolyl-2-p-tolyl-2H-pyrazol-3-ylamine
CAS Number:
1003992-24-2
Molecular Formula:
C17H17N3
Molecular Weight:
263.3370
IUPAC Name:
4-(2-methylphenyl)-2-(4-methylphenyl)sulfonylpyrazol-3-amine
InChI:
InChI=1S/C17H17N3O2S/c1-12-7-9-14(10-8-12)23(21,22)20-17(18)16(11-19-20)15-6-4-3-5-13(15)2/h3-11H,18H2,1-2H3
InChI Key:
LLUCUFRMGZBJRT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1ncc(c1N)c1ccccc1C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.402g/mol
Monoisotopic Mass:
327.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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