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Home > Nitro Compounds > 866020-36-2
866020-36-2 | 14-methyl-5-nitro-2-oxa-11-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-one
CAS No: 866020-36-2 Catalog No: AG00IQD9 MDL No:MFCD04125543
Product Description
Catalog Number:
AG00IQD9
Chemical Name:
14-methyl-5-nitro-2-oxa-11-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-one
CAS Number:
866020-36-2
Molecular Formula:
C15H12N2O4
Molecular Weight:
284.2668
MDL Number:
MFCD04125543
IUPAC Name:
2-methyl-7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
InChI:
InChI=1S/C15H12N2O4/c1-9-5-6-14-12(7-9)16-15(18)10-3-2-4-13(17(19)20)11(10)8-21-14/h2-7H,8H2,1H3,(H,16,18)
InChI Key:
YEGSPVARVMRMAU-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)NC(=O)c1c(CO2)c(ccc1)[N+](=O)[O-]
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.271g/mol
Monoisotopic Mass:
284.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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