Name: Name:2-chloro-1-{2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}ethan-1-one
Brand: Angene
SKU: AG00ICNW
Rating: 90 (10 reviews)

2-chloro-1-{2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}ethan-1-one

CAS No.:

757192-82-8

Catalog Number:

AG00ICNW

Molecular Formula:

C15H13ClF3NO2

Molecular Weight:

331.7174

Catalog Number:

AG00ICNW

Chemical Name:

2-chloro-1-{2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-3-yl}ethan-1-one

CAS Number:

757192-82-8

Molecular Formula:

C15H13ClF3NO2

Molecular Weight:

331.7174

MDL Number:

MFCD06340100

IUPAC Name:

2-chloro-1-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrol-3-yl]ethanone

InChI:

InChI=1S/C15H13ClF3NO2/c1-9-7-13(14(21)8-16)10(2)20(9)11-3-5-12(6-4-11)22-15(17,18)19/h3-7H,8H2,1-2H3

InChI Key:

UQVBEDXCYXVVIU-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)c1ccc(cc1)OC(F)(F)F)C

Complexity:

397

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.719g/mol

Monoisotopic Mass:

331.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

31.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6