Name: Name:1H-Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl ester
Brand: Angene
SKU: AG00D8WI
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl ester

CAS No.:

5408-07-1

Catalog Number:

AG00D8WI

Molecular Formula:

C9H12BrNO2

Molecular Weight:

246.1011

Catalog Number:

AG00D8WI

Chemical Name:

1H-Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl ester

CAS Number:

5408-07-1

Molecular Formula:

C9H12BrNO2

Molecular Weight:

246.1011

MDL Number:

MFCD02647051

IUPAC Name:

ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate

InChI:

InChI=1S/C9H12BrNO2/c1-4-13-9(12)8-5(2)7(10)6(3)11-8/h11H,4H2,1-3H3

InChI Key:

POLBZQUAKJYNIF-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1[nH]c(c(c1C)Br)C

NSC Number:

10761

Complexity:

198

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.104g/mol

Monoisotopic Mass:

245.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7