Name: Name:ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE
Brand: Angene
SKU: AG00D8MO
Rating: 90 (10 reviews)

ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE

CAS No.:

5159-70-6

Catalog Number:

AG00D8MO

Molecular Formula:

C15H17NO2

Molecular Weight:

243.3010

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Product Description

Catalog Number:

AG00D8MO

Chemical Name:

ETHYL 4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE

CAS Number:

5159-70-6

Molecular Formula:

C15H17NO2

Molecular Weight:

243.3010

MDL Number:

MFCD00022462

IUPAC Name:

ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

InChI:

InChI=1S/C15H17NO2/c1-4-18-15(17)13-7-9-14(10-8-13)16-11(2)5-6-12(16)3/h5-10H,4H2,1-3H3

InChI Key:

FIQJDBIRRVQTJN-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccc(cc1)n1c(C)ccc1C

Properties

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.306g/mol

Monoisotopic Mass:

243.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

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

Properties