Name: Name:1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG019XBE
Rating: 90 (10 reviews)

1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:

923721-15-7

Catalog Number:

AG019XBE

Molecular Formula:

C13H12ClNO2

Molecular Weight:

249.6929

Catalog Number:

AG019XBE

Chemical Name:

1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS Number:

923721-15-7

Molecular Formula:

C13H12ClNO2

Molecular Weight:

249.6929

MDL Number:

MFCD08444895

IUPAC Name:

1-(3-chlorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C13H12ClNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)

InChI Key:

SNPBYQCWMKALIT-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)n1c(C)cc(c1C)C(=O)O

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.694g/mol

Monoisotopic Mass:

249.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3