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CAS 3382-63-6 manufacturers and suppliers on PharmaCompass

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CAS 3382-63-6
Also known as:
Molecular Formula
C13H10FNO
Molecular Weight
215.22  g/mol
InChI Key
QVDWVRKNMDWNRU-UHFFFAOYSA-N

1 2D Structure

CAS 3382-63-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(4-fluoroanilino)methylidene]cyclohexa-2,5-dien-1-one
2.1.2 InChI
InChI=1S/C13H10FNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,15H
2.1.3 InChI Key
QVDWVRKNMDWNRU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=O)C=CC1=CNC2=CC=C(C=C2)F
2.1.5 Isomeric SMILES
C1=CC(=O)C=CC1=CNC2=CC=C(C=C2)F
2.2 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 215.22 g/mol
Molecular Formula C13H10FNO
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass215.074642105 g/mol
Monoisotopic Mass215.074642105 g/mol
Topological Polar Surface Area29.1 A^2
Heavy Atom Count16
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content
99395-88-7
Ezetimibe
With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-dr...
With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-driven company that specializes in bulk drugs, intermediates and specialty chemicals. As an API-based company, IOL Chemicals has substantial manufacturing capacities that provide economies of scale and cost advantages. It also has extensive expertise in specialty chemicals. IOL Chemicals’ API portfolio includes various therapeutic categories such as pain management, anti-diabetic, anti-hypertensive and anti-convulsant. IOL Chemicals is a backward-integrated company that produces all intermediates and key starting materials for ibuprofen.
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