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Home > Nitro Compounds > 139594-70-0
139594-70-0 | 2-Propenoic acid, 4-[2-(4-nitrophenyl)diazenyl]-1-naphthalenyl ester
CAS No: 139594-70-0 Catalog No: AG001BC3 MDL No:
Product Description
Catalog Number:
AG001BC3
Chemical Name:
2-Propenoic acid, 4-[2-(4-nitrophenyl)diazenyl]-1-naphthalenyl ester
CAS Number:
139594-70-0
Molecular Formula:
C19H13N3O4
Molecular Weight:
347.3242
IUPAC Name:
[4-[(4-nitrophenyl)diazenyl]naphthalen-1-yl] prop-2-enoate
InChI:
InChI=1S/C19H13N3O4/c1-2-19(23)26-18-12-11-17(15-5-3-4-6-16(15)18)21-20-13-7-9-14(10-8-13)22(24)25/h2-12H,1H2
InChI Key:
ZAYHUNALRZCRDV-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.091g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.33g/mol
Monoisotopic Mass:
347.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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