Name: Name:3-bromo-5-[(tert-butoxy)carbonyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid
Brand: Angene
SKU: AG01B65E
Rating: 90 (10 reviews)

3-bromo-5-[(tert-butoxy)carbonyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid

CAS No.:

1823574-52-2

Catalog Number:

AG01B65E

Molecular Formula:

C12H14BrNO4S

Molecular Weight:

348.2129

Catalog Number:

AG01B65E

Chemical Name:

3-bromo-5-[(tert-butoxy)carbonyl]-4H,5H,6H-thieno[2,3-c]pyrrole-2-carboxylic acid

CAS Number:

1823574-52-2

Molecular Formula:

C12H14BrNO4S

Molecular Weight:

348.2129

MDL Number:

MFCD28140265

IUPAC Name:

3-bromo-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid

InChI:

InChI=1S/C12H14BrNO4S/c1-12(2,3)18-11(17)14-4-6-7(5-14)19-9(8(6)13)10(15)16/h4-5H2,1-3H3,(H,15,16)

InChI Key:

KLCHQUAJNIIUDX-UHFFFAOYSA-N

SMILES:

O=C(N1Cc2c(C1)c(c(s2)C(=O)O)Br)OC(C)(C)C

Complexity:

398

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.983g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.211g/mol

Monoisotopic Mass:

346.983g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4