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Home > Nitro Compounds > 400078-33-3
400078-33-3 | 6-methyl-3-(4-nitrophenyl)-2H-1,4-benzoxazine
CAS No: 400078-33-3 Catalog No: AG00IQZO MDL No:MFCD02185893
Product Description
Catalog Number:
AG00IQZO
Chemical Name:
6-methyl-3-(4-nitrophenyl)-2H-1,4-benzoxazine
CAS Number:
400078-33-3
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
MDL Number:
MFCD02185893
IUPAC Name:
6-methyl-3-(4-nitrophenyl)-2H-1,4-benzoxazine
InChI:
InChI=1S/C15H12N2O3/c1-10-2-7-15-13(8-10)16-14(9-20-15)11-3-5-12(6-4-11)17(18)19/h2-8H,9H2,1H3
InChI Key:
YSVJRRGYSMLMHL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)N=C(CO2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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