Abemaciclib Impurity 1

CAT: 1596-AR-A05179-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-A05179-05Size:150

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

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CAS Number

1231930-33-8

Synonyms

6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole

Molecular Formula

C11H12BrFN2

Molecular Weight

271.13

API Name

Abemaciclib

Chemical Information

6-bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo(d)imidazole

CAS Number	1231930-33-8
PubChem CID	56971662
IUPAC Name	6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
Molecular Formula	C11H12BrFN2
Molecular Weight	271.13
XLogP	3.3
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	237

SMILES

CC1=NC2=C(N1C(C)C)C=C(C=C2F)Br

InChI

InChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3

InChIKey

SJQZRZLUEGCXFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1231930-33-8

CID: 56971662

Formula: C11H12BrFN2

MW: 271.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.13
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	270.01679
Monoisotopic Mass	270.01679
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
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