Name: Name:2-(6-Bromo-indolizin-3-yl)-2h-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG00HRH5
Rating: 90 (10 reviews)

2-(6-Bromo-indolizin-3-yl)-2h-pyrazole-3-carboxylic acid

CAS No.:

1263180-88-6

Catalog Number:

AG00HRH5

Molecular Formula:

C12H8BrN3O2

Molecular Weight:

306.1148

Catalog Number:

AG00HRH5

Chemical Name:

2-(6-Bromo-indolizin-3-yl)-2h-pyrazole-3-carboxylic acid

CAS Number:

1263180-88-6

Molecular Formula:

C12H8BrN3O2

Molecular Weight:

306.1148

MDL Number:

MFCD18792898

IUPAC Name:

2-(6-bromoindolizin-3-yl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C12H8BrN3O2/c13-8-1-2-9-3-4-11(15(9)7-8)16-10(12(17)18)5-6-14-16/h1-7H,(H,17,18)

InChI Key:

JRIHKKDCXSQBNF-UHFFFAOYSA-N

SMILES:

Brc1ccc2n(c1)c(cc2)n1nccc1C(=O)O

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

304.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.119g/mol

Monoisotopic Mass:

304.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4