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866020-34-0 | 14-(2-methylbutan-2-yl)-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: 866020-34-0 Catalog No: AG00IYAP MDL No:MFCD04125542
Product Description
Catalog Number:
AG00IYAP
Chemical Name:
14-(2-methylbutan-2-yl)-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:
866020-34-0
Molecular Formula:
C19H20N2O4
Molecular Weight:
340.3731
MDL Number:
MFCD04125542
IUPAC Name:
2-(2-methylbutan-2-yl)-7-nitro-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
InChI:
InChI=1S/C19H20N2O4/c1-4-19(2,3)12-8-9-17-15(10-12)20-18(22)13-6-5-7-16(21(23)24)14(13)11-25-17/h5-10H,4,11H2,1-3H3,(H,20,22)
InChI Key:
FMPHHZXDIXVMRR-UHFFFAOYSA-N
SMILES:
CCC(c1ccc2c(c1)NC(=O)c1c(CO2)c(ccc1)[N+](=O)[O-])(C)C
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.379g/mol
Monoisotopic Mass:
340.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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