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Home > Nitro Compounds > 75615-28-0
75615-28-0 | 5-NITRO-1-(1-OXO-3-PHENYL-2-PROPENYL)-1H-BENZOTRIAZOLE
CAS No: 75615-28-0 Catalog No: AG005AO9 MDL No:
Product Description
Catalog Number:
AG005AO9
Chemical Name:
5-NITRO-1-(1-OXO-3-PHENYL-2-PROPENYL)-1H-BENZOTRIAZOLE
CAS Number:
75615-28-0
Molecular Formula:
C15H10N4O3
Molecular Weight:
294.2649
IUPAC Name:
1-(5-nitrobenzotriazol-1-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C15H10N4O3/c20-15(9-6-11-4-2-1-3-5-11)18-14-8-7-12(19(21)22)10-13(14)16-17-18/h1-10H
InChI Key:
CJWBADMQGWVOQH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nnn2C(=O)C=Cc1ccccc1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.27g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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