200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 141068-91-9
141068-91-9 | 2H-1,4-Benzoxazin-3(4H)-one, 5-methyl-6-nitro-
CAS No: 141068-91-9 Catalog No: AG001FU0 MDL No:MFCD25958885
Product Description
Catalog Number:
AG001FU0
Chemical Name:
2H-1,4-Benzoxazin-3(4H)-one, 5-methyl-6-nitro-
CAS Number:
141068-91-9
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD25958885
IUPAC Name:
5-methyl-6-nitro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C9H8N2O4/c1-5-6(11(13)14)2-3-7-9(5)10-8(12)4-15-7/h2-3H,4H2,1H3,(H,10,12)
InChI Key:
JAGQLUZBYBEONL-UHFFFAOYSA-N
SMILES:
O=C1COc2c(N1)c(C)c(cc2)[N+](=O)[O-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.