Compound 119924-92-4

CAT: 0931-TPL0212-01Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0931-TPL0212-01Size:200 mg

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CAS Number

119924-92-4

Purity

0.9967

Bioactivity

Compound 119924-92-4, with CAS No. 119924-92-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 119924-92-4 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Smiles

CC(=O)c1ccc(cc1)-n1ccnc1C

Molecular Formula

C12H12N2O

Molecular Weight

200.2365

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

1-(4-(2-methyl-1H-imidazol-1-yl)phenyl)ethan-1-one

CAS Number	119924-92-4
PubChem CID	28414435
IUPAC Name	1-[4-(2-methylimidazol-1-yl)phenyl]ethanone
Molecular Formula	C12H12N2O
Molecular Weight	200.24
XLogP	1.8
Topological Polar Surface Area	34.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	234

SMILES

CC1=NC=CN1C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C12H12N2O/c1-9(15)11-3-5-12(6-4-11)14-8-7-13-10(14)2/h3-8H,1-2H3

InChIKey

LIIAUYRAXKEBGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119924-92-4

CID: 28414435

Formula: C12H12N2O

MW: 200.24

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	200.24
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	200.094963011
Monoisotopic Mass	200.094963011
Topological Polar Surface Area	34.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	234
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

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Alternative Products

Catalog	Name
AR-T02151-01	Ticagrelor Related Compound 92
MBS579702	Compound 4
GTR19154484	New compound 4
AR-I03520-01	Indazole Related Compound 4
AR-I01350-01	Imidafenacin Related Compound 4
AR-F01060-01	Faropenem Related Compound 4
AR-Z00951-01	Everolimus Related Compound 4
AR-D07033-01	Difenacoum Related Compound 4
AR-C08966-01	Cytidine Related Compound 4
AR-C03735-01	Curcumin Related Compound 4

Compound 119924-92-4

Chemical Information

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