Abemaciclib Impurity 18

CAT: 1299-RM-A305018-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A305018-02Size:25 mg

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

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CAS Number

1231930-29-2

Synonyms

N'- (4-bromo-2,6-difluorophenyl) -N-isopropylacetimidamide

Molecular Formula

C11H13BrF2N2

Molecular Weight

291.14

Target Alternative Name

Abemaciclib

Product Name Synonym

N'- (4-bromo-2,6-difluorophenyl) -N-isopropylacetimidamide

Chemical Information

EthaniMidaMide, N-(4-broMo-2,6-difluorophenyl)-N'-(1-Methylethyl)-

CAS Number	1231930-29-2
PubChem CID	67426737
IUPAC Name	N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide
Molecular Formula	C11H13BrF2N2
Molecular Weight	291.13
XLogP	2.9
Topological Polar Surface Area	24.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	246

SMILES

CC(C)N=C(C)NC1=C(C=C(C=C1F)Br)F

InChI

InChI=1S/C11H13BrF2N2/c1-6(2)15-7(3)16-11-9(13)4-8(12)5-10(11)14/h4-6H,1-3H3,(H,15,16)

InChIKey

SCDDZPXMZYLKLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1231930-29-2

CID: 67426737

Formula: C11H13BrF2N2

MW: 291.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	291.13
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	290.02302
Monoisotopic Mass	290.02302
Topological Polar Surface Area	24.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	246
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