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89060-24-2 | 1H-1,2,4-Triazole, 5-(chloromethyl)-1-(4-nitrophenyl)-3-phenyl-
CAS No: 89060-24-2 Catalog No: AG00412N MDL No:
Product Description
Catalog Number:
AG00412N
Chemical Name:
1H-1,2,4-Triazole, 5-(chloromethyl)-1-(4-nitrophenyl)-3-phenyl-
CAS Number:
89060-24-2
Molecular Formula:
C15H11ClN4O2
Molecular Weight:
314.7264
IUPAC Name:
5-(chloromethyl)-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazole
InChI:
InChI=1S/C15H11ClN4O2/c16-10-14-17-15(11-4-2-1-3-5-11)18-19(14)12-6-8-13(9-7-12)20(21)22/h1-9H,10H2
InChI Key:
AHONUOAQYQKCIM-UHFFFAOYSA-N
SMILES:
ClCc1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.729g/mol
Monoisotopic Mass:
314.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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