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Home > Nitro Compounds > 24609-72-1
24609-72-1 | 1H-Naphth[1,2-e][1,3]oxazine, 2,3-dihydro-3-(4-nitrophenyl)-1-phenyl-, (1R,3R)-rel-
CAS No: 24609-72-1 Catalog No: AG002OQX MDL No:
Product Description
Catalog Number:
AG002OQX
Chemical Name:
1H-Naphth[1,2-e][1,3]oxazine, 2,3-dihydro-3-(4-nitrophenyl)-1-phenyl-, (1R,3R)-rel-
CAS Number:
24609-72-1
Molecular Formula:
C24H18N2O3
Molecular Weight:
382.4113
IUPAC Name:
3-(4-nitrophenyl)-1-phenyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazine
InChI:
InChI=1S/C24H18N2O3/c27-26(28)19-13-10-18(11-14-19)24-25-23(17-7-2-1-3-8-17)22-20-9-5-4-6-16(20)12-15-21(22)29-24/h1-15,23-25H
InChI Key:
FJNDYZVORTVWMR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)[C@H]1Oc2ccc3c(c2[C@H](N1)c1ccccc1)cccc3
NSC Number:
135843
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.132g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.419g/mol
Monoisotopic Mass:
382.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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