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1438383-89-1 | 5H-Benzo[d]naphtho[2,3-b]pyran-8(9H)-one, 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-
CAS No: 1438383-89-1 Catalog No: AG001IGN MDL No:
Product Description
Catalog Number:
AG001IGN
Chemical Name:
5H-Benzo[d]naphtho[2,3-b]pyran-8(9H)-one, 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-
CAS Number:
1438383-89-1
Molecular Formula:
C19H14Br2O3
Molecular Weight:
450.1207
IUPAC Name:
9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
InChI:
InChI=1S/C19H14Br2O3/c20-8-17(22)11-1-3-13-12(5-11)9-24-18-7-14-10(6-15(13)18)2-4-16(21)19(14)23/h1,3,5-7,16H,2,4,8-9H2
InChI Key:
NVSLOKHCHIFJDR-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc2c(c1)COc1c2cc2CCC(C(=O)c2c1)Br
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.929g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.126g/mol
Monoisotopic Mass:
447.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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