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Home > Nitro Compounds > 866050-58-0
866050-58-0 | 3-(3-nitrophenyl)-4,5-dihydro-1,4-benzoxazepin-5-one
CAS No: 866050-58-0 Catalog No: AG00IRNZ MDL No:MFCD03787807
Product Description
Catalog Number:
AG00IRNZ
Chemical Name:
3-(3-nitrophenyl)-4,5-dihydro-1,4-benzoxazepin-5-one
CAS Number:
866050-58-0
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
MDL Number:
MFCD03787807
IUPAC Name:
3-(3-nitrophenyl)-4H-1,4-benzoxazepin-5-one
InChI:
InChI=1S/C15H10N2O4/c18-15-12-6-1-2-7-14(12)21-9-13(16-15)10-4-3-5-11(8-10)17(19)20/h1-9H,(H,16,18)
InChI Key:
INORVOOKGOOGDP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1=COc2c(C(=O)N1)cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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