Name: Name:5-(Methoxycarbonyl)-1-tosyl-1H-pyrrol-3-yl-3-boronic acid
Brand: Angene
SKU: AG00H1JE
Rating: 90 (10 reviews)

5-(Methoxycarbonyl)-1-tosyl-1H-pyrrol-3-yl-3-boronic acid

CAS No.:

916177-00-9

Catalog Number:

AG00H1JE

Molecular Formula:

C13H14BNO6S

Molecular Weight:

323.1294

Catalog Number:

AG00H1JE

Chemical Name:

5-(Methoxycarbonyl)-1-tosyl-1H-pyrrol-3-yl-3-boronic acid

CAS Number:

916177-00-9

Molecular Formula:

C13H14BNO6S

Molecular Weight:

323.1294

MDL Number:

MFCD18427599

IUPAC Name:

[5-methoxycarbonyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]boronic acid

InChI:

InChI=1S/C13H14BNO6S/c1-9-3-5-11(6-4-9)22(19,20)15-8-10(14(17)18)7-12(15)13(16)21-2/h3-8,17-18H,1-2H3

InChI Key:

RCUJDNBFRQOHOY-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(cn1S(=O)(=O)c1ccc(cc1)C)B(O)O

Complexity:

497

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.126g/mol

Monoisotopic Mass:

323.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: