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Home > Nitro Compounds > 122942-42-1
122942-42-1 | Methanone, [1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl]phenyl-
CAS No: 122942-42-1 Catalog No: AG000JTD MDL No:
Product Description
Catalog Number:
AG000JTD
Chemical Name:
Methanone, [1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl]phenyl-
CAS Number:
122942-42-1
Molecular Formula:
C21H14N4O3
Molecular Weight:
370.3609
IUPAC Name:
[1-(4-nitrophenyl)-5-phenyltriazol-4-yl]-phenylmethanone
InChI:
InChI=1S/C21H14N4O3/c26-21(16-9-5-2-6-10-16)19-20(15-7-3-1-4-8-15)24(23-22-19)17-11-13-18(14-12-17)25(27)28/h1-14H
InChI Key:
HANGDAVQZCGNED-UHFFFAOYSA-N
SMILES:
O=C(c1nnn(c1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.107g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.368g/mol
Monoisotopic Mass:
370.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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