Alectinib Impurity 15

CAT: 1299-RM-A329015-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A329015-02Size:25 mg

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

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CAS Number

1247119-83-0

Synonyms

2- (4-ethylphenyl) -2-methylpropanoic acid

Molecular Formula

C12H16O2

Molecular Weight

192.26

Target Alternative Name

Alectinib

Product Name Synonym

2- (4-ethylphenyl) -2-methylpropanoic acid

Chemical Information

2-(4-Ethylphenyl)-2-methylpropanoic acid

CAS Number	1247119-83-0
PubChem CID	58128446
IUPAC Name	2-(4-ethylphenyl)-2-methylpropanoic acid
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	3.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	200

SMILES

CCC1=CC=C(C=C1)C(C)(C)C(=O)O

InChI

InChI=1S/C12H16O2/c1-4-9-5-7-10(8-6-9)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)

InChIKey

ZTABWPDSXBXQMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1247119-83-0

CID: 58128446

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	200
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