Abemaciclib Impurity 40

CAT: 1299-RM-A305040-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A305040-04Size:100 mg

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

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CAS Number

2346512-66-9

Synonyms

(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl) boronic acid

Molecular Formula

C11H14BFN2O2

Molecular Weight

236.05

Target Alternative Name

Abemaciclib

Product Name Synonym

(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl) boronic acid

Chemical Information

(4-Fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)boronic acid

CAS Number	2346512-66-9
PubChem CID	155893686
IUPAC Name	(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)boronic acid
Molecular Formula	C11H14BFN2O2
Molecular Weight	236.05
Topological Polar Surface Area	58.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	280

SMILES

B(C1=CC2=C(C(=C1)F)N=C(N2C(C)C)C)(O)O

InChI

InChI=1S/C11H14BFN2O2/c1-6(2)15-7(3)14-11-9(13)4-8(12(16)17)5-10(11)15/h4-6,16-17H,1-3H3

InChIKey

CEMKHWTUYRGHCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2346512-66-9

CID: 155893686

Formula: C11H14BFN2O2

MW: 236.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.05
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	236.1132360
Monoisotopic Mass	236.1132360
Topological Polar Surface Area	58.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	280
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