Alectinib Impurity 6

CAT: 1299-RM-A329006-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A329006-02Size:25 mg

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

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CAS Number

1256578-99-0

Synonyms

6-bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2 (1H) -one

Molecular Formula

C13H15BrO2

Molecular Weight

283.17

Target Alternative Name

Alectinib

Product Name Synonym

6-bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2 (1H) -one

Chemical Information

6-Bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one

CAS Number	1256578-99-0
PubChem CID	54578543
IUPAC Name	6-bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
Molecular Formula	C13H15BrO2
Molecular Weight	283.16
XLogP	3.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	288

SMILES

CC1(C(=O)CCC2=CC(=C(C=C21)OC)Br)C

InChI

InChI=1S/C13H15BrO2/c1-13(2)9-7-11(16-3)10(14)6-8(9)4-5-12(13)15/h6-7H,4-5H2,1-3H3

InChIKey

BCYSBQVQSCOMEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256578-99-0

CID: 54578543

Formula: C13H15BrO2

MW: 283.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.16
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	282.02554
Monoisotopic Mass	282.02554
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	288
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