Name: Name:1-(2-bromophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG019VE7
Rating: 90 (10 reviews)

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

CAS No.:

923863-66-5

Catalog Number:

AG019VE7

Molecular Formula:

C13H12BrNO2

Molecular Weight:

294.1439

Catalog Number:

AG019VE7

Chemical Name:

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

CAS Number:

923863-66-5

Molecular Formula:

C13H12BrNO2

Molecular Weight:

294.1439

MDL Number:

MFCD08445173

IUPAC Name:

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

InChI:

InChI=1S/C13H12BrNO2/c1-8-7-10(13(16)17)9(2)15(8)12-6-4-3-5-11(12)14/h3-7H,1-2H3,(H,16,17)

InChI Key:

ICLBMRNCDQWFNK-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(n(c1C)c1ccccc1Br)C

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.148g/mol

Monoisotopic Mass:

293.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3