Name: Name:2-chloro-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]ethan-1-one
Brand: Angene
SKU: AG00ICK0
Rating: 90 (10 reviews)

2-chloro-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]ethan-1-one

CAS No.:

747411-07-0

Catalog Number:

AG00ICK0

Molecular Formula:

C12H13ClN2O2

Molecular Weight:

252.6968

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Product Description

Catalog Number:

AG00ICK0

Chemical Name:

2-chloro-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1H-pyrrol-3-yl]ethan-1-one

CAS Number:

747411-07-0

Molecular Formula:

C12H13ClN2O2

Molecular Weight:

252.6968

MDL Number:

MFCD18255919

IUPAC Name:

2-chloro-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone

InChI:

InChI=1S/C12H13ClN2O2/c1-7-4-10(11(16)6-13)9(3)15(7)12-5-8(2)17-14-12/h4-5H,6H2,1-3H3

InChI Key:

AQWWIOJBPOBUDQ-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)c1noc(c1)C)C

Properties

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.698g/mol

Monoisotopic Mass:

252.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

48A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501