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Home > Nitro Compounds > 117483-13-3
117483-13-3 | 2H-1,3-Benzoxazine, 3,4-dihydro-3-(4-nitrophenyl)-
CAS No: 117483-13-3 Catalog No: AG000ECF MDL No:
Product Description
Catalog Number:
AG000ECF
Chemical Name:
2H-1,3-Benzoxazine, 3,4-dihydro-3-(4-nitrophenyl)-
CAS Number:
117483-13-3
Molecular Formula:
C14H12N2O3
Molecular Weight:
256.2567
IUPAC Name:
3-(4-nitrophenyl)-2,4-dihydro-1,3-benzoxazine
InChI:
InChI=1S/C14H12N2O3/c17-16(18)13-7-5-12(6-8-13)15-9-11-3-1-2-4-14(11)19-10-15/h1-8H,9-10H2
InChI Key:
MZWHCNREOZUGME-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1COc2c(C1)cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.261g/mol
Monoisotopic Mass:
256.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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