Cinacalcet Impurity 55

CAT: 1596-AR-C07619-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C07619-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

21172-41-8

Synonyms

3- (3- (Trifluoromethyl) phenyl) propanal

Molecular Formula

C10H9F3O

Molecular Weight

202.18

API Name

Cinacalcet

Chemical Information

3-(Trifluoromethyl)benzenepropanal

CAS Number	21172-41-8
PubChem CID	11298612
IUPAC Name	3-[3-(trifluoromethyl)phenyl]propanal
Molecular Formula	C10H9F3O
Molecular Weight	202.17
XLogP	2.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	188

SMILES

C1=CC(=CC(=C1)C(F)(F)F)CCC=O

InChI

InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2

InChIKey

APCCHYPQHODSBD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21172-41-8

CID: 11298612

Formula: C10H9F3O

MW: 202.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.17
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	202.06054939
Monoisotopic Mass	202.06054939
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
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