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CAS 1438383-89-1
PharmaCompass
  • Chemistry
CAS 1438383-89-1
Also known as: 1438383-89-1, 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5h-benzo[d]naphtho[2,3-b]pyran-8(9h)-one, 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5h-dibenzo[c,g]chromen-8(9h)-one, Schembl14969026, Mfcd30187854, Akos030526050
Molecular Formula
C19H14Br2O3
Molecular Weight
450.126  g/mol
InChI Key
NVSLOKHCHIFJDR-UHFFFAOYSA-N

1 2D Structure

CAS 1438383-89-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
2.1.2 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
2.1.3 InChI Key
NVSLOKHCHIFJDR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=C(C=C3C(=C2)C4=C(CO3)C=C(C=C4)C(=O)CBr)C(=O)C1Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1438383-89-1

2. 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5h-benzo[d]naphtho[2,3-b]pyran-8(9h)-one

3. 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5h-dibenzo[c,g]chromen-8(9h)-one

4. Schembl14969026

5. Mfcd30187854

6. Akos030526050

7. Acn-050791

8. 9-bromo-3-(2-bromo Acetyl)-10,11-dihydro-5h-dibenzo(c,g) Chromen-8(9h)-one

9. 9-bromo-3-(2-bromo Acetyl)-10,11-dihydro-5h-dibenzo[c, G]chromen-8(9h)-one

10. 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5h-dibenzo [c,g]chromen-8(9h)-one

11. 9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one

2.3 Create Date
2015-02-02
3 Chemical and Physical Properties
Molecular Weight 450.126 g/mol
Molecular Formula C19H14Br2O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass449.929 g/mol
Monoisotopic Mass447.931 g/mol
Topological Polar Surface Area43.4 A^2
Heavy Atom Count24
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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