Safinamide Impurity 10

CAT: 1299-RM-S061436-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S061436-01Size:10 mg

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CAS Number

172685-67-5

Synonyms

2- ((3-fluorobenzyl) oxy) benzaldehyde

Molecular Formula

C14H11FO2

Molecular Weight

230.24

Target Alternative Name

Safinamide

Product Name Synonym

2- ((3-fluorobenzyl) oxy) benzaldehyde

Chemical Information

2-[(3-Fluorobenzyl)oxy]benzaldehyde

CAS Number	172685-67-5
PubChem CID	882581
IUPAC Name	2-[(3-fluorophenyl)methoxy]benzaldehyde
Molecular Formula	C14H11FO2
Molecular Weight	230.23
XLogP	2.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	244

SMILES

C1=CC=C(C(=C1)C=O)OCC2=CC(=CC=C2)F

InChI

InChI=1S/C14H11FO2/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16/h1-9H,10H2

InChIKey

BSAJRFAEOQFFKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 172685-67-5

CID: 882581

Formula: C14H11FO2

MW: 230.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.23
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	230.07430775
Monoisotopic Mass	230.07430775
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ESS0334-01	Safinamide Impurity 1
AR-S09784-01	Safinamide Impurity 18
AR-S09786-01	Safinamide Impurity 19
AR-S09788-01	Safinamide Impurity 20
AR-S09791-01	Safinamide Impurity 10
AR-S09781-01	Safinamide Impurity 14
AR-S09778-01	Safinamide Impurity 9
AR-S09780-01	Safinamide Impurity 12
AR-S09779-01	Safinamide Impurity 11
ESS0335-01	Safinamide Impurity 1 Hydrochloride