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Home > Nitro Compounds > 331461-74-6
331461-74-6 | 6,7-dimethoxy-2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
CAS No: 331461-74-6 Catalog No: AG00IWTC MDL No:MFCD00169716
Product Description
Catalog Number:
AG00IWTC
Chemical Name:
6,7-dimethoxy-2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
CAS Number:
331461-74-6
Molecular Formula:
C16H12N2O6
Molecular Weight:
328.2763
MDL Number:
MFCD00169716
IUPAC Name:
6,7-dimethoxy-2-(3-nitrophenyl)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C16H12N2O6/c1-22-13-7-11-12(8-14(13)23-2)17-15(24-16(11)19)9-4-3-5-10(6-9)18(20)21/h3-8H,1-2H3
InChI Key:
HSFDECLWIMVSIE-UHFFFAOYSA-N
SMILES:
COc1cc2nc(oc(=O)c2cc1OC)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.07g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.28g/mol
Monoisotopic Mass:
328.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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