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CAS 1423030-14-1 manufacturers and suppliers on PharmaCompass

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CAS 1423030-14-1
Also known as: 1423030-14-1, (3z)-3-[(3-bromo-4-fluorophenyl)methylidene]-2-benzofuran-1-one, Schembl8159990, Mfcd29078376, Akos037644075, As-44439
Molecular Formula
C15H8BrFO2
Molecular Weight
319.12  g/mol
InChI Key
CPTICOLUIJZBHY-ZSOIEALJSA-N

1 2D Structure

CAS 1423030-14-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3Z)-3-[(3-bromo-4-fluorophenyl)methylidene]-2-benzofuran-1-one
2.1.2 InChI
InChI=1S/C15H8BrFO2/c16-12-7-9(5-6-13(12)17)8-14-10-3-1-2-4-11(10)15(18)19-14/h1-8H/b14-8-
2.1.3 InChI Key
CPTICOLUIJZBHY-ZSOIEALJSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=CC3=CC(=C(C=C3)F)Br)OC2=O
2.1.5 Isomeric SMILES
C1=CC=C2C(=C1)/C(=C/C3=CC(=C(C=C3)F)Br)/OC2=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1423030-14-1

2. (3z)-3-[(3-bromo-4-fluorophenyl)methylidene]-2-benzofuran-1-one

3. Schembl8159990

4. Mfcd29078376

5. Akos037644075

6. As-44439

2.3 Create Date
2012-08-20
3 Chemical and Physical Properties
Molecular Weight 319.12 g/mol
Molecular Formula C15H8BrFO2
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area26.3
Heavy Atom Count19
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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