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Home > Nitro Compounds > 15115-37-4
15115-37-4 | 5-(4-nitrophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CAS No: 15115-37-4 Catalog No: AG01CAYW MDL No:MFCD00227604
Product Description
Catalog Number:
AG01CAYW
Chemical Name:
5-(4-nitrophenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CAS Number:
15115-37-4
Molecular Formula:
C21H17N3O2
Molecular Weight:
343.3786
MDL Number:
MFCD00227604
IUPAC Name:
3-(4-nitrophenyl)-2,5-diphenyl-3,4-dihydropyrazole
InChI:
InChI=1S/C21H17N3O2/c25-24(26)19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22-23(21)18-9-5-2-6-10-18/h1-14,21H,15H2
InChI Key:
OISCBHHURZLAMT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1
NSC Number:
409744
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.386g/mol
Monoisotopic Mass:
343.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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