Name: Name:4-bromo-1-(propan-2-yl)-1H-pyrrole-2-carboxylic acid
Brand: Angene
SKU: AG019V4P
Rating: 90 (10 reviews)

4-bromo-1-(propan-2-yl)-1H-pyrrole-2-carboxylic acid

CAS No.:

1306604-97-6

Catalog Number:

AG019V4P

Molecular Formula:

C8H10BrNO2

Molecular Weight:

232.0745

Catalog Number:

AG019V4P

Chemical Name:

4-bromo-1-(propan-2-yl)-1H-pyrrole-2-carboxylic acid

CAS Number:

1306604-97-6

Molecular Formula:

C8H10BrNO2

Molecular Weight:

232.0745

MDL Number:

MFCD18838620

IUPAC Name:

4-bromo-1-propan-2-ylpyrrole-2-carboxylic acid

InChI:

InChI=1S/C8H10BrNO2/c1-5(2)10-4-6(9)3-7(10)8(11)12/h3-5H,1-2H3,(H,11,12)

InChI Key:

CULTUKQABHCDGT-UHFFFAOYSA-N

SMILES:

Brc1cn(c(c1)C(=O)O)C(C)C

Complexity:

184

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.989g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.077g/mol

Monoisotopic Mass:

230.989g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9