Name: Name:1-[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one
Brand: Angene
SKU: AG00ICNX
Rating: 90 (10 reviews)

1-[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one

CAS No.:

757192-83-9

Catalog Number:

AG00ICNX

Molecular Formula:

C14H13BrClNO

Molecular Weight:

326.6161

Catalog Number:

AG00ICNX

Chemical Name:

1-[1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-chloroethan-1-one

CAS Number:

757192-83-9

Molecular Formula:

C14H13BrClNO

Molecular Weight:

326.6161

MDL Number:

MFCD06340101

IUPAC Name:

1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-chloroethanone

InChI:

InChI=1S/C14H13BrClNO/c1-9-6-13(14(18)8-16)10(2)17(9)12-5-3-4-11(15)7-12/h3-7H,8H2,1-2H3

InChI Key:

XRZKRJMMLOKWAT-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cc(n(c1C)c1cccc(c1)Br)C

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

324.987g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

326.618g/mol

Monoisotopic Mass:

324.987g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1