Name: Name:1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-nitro-1-(phenylsulfonyl)-, methyl ester
Brand: Angene
SKU: AG00GEEM
Rating: 90 (10 reviews)

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-nitro-1-(phenylsulfonyl)-, methyl ester

CAS No.:

858340-91-7

Catalog Number:

AG00GEEM

Molecular Formula:

C15H11N3O6S

Molecular Weight:

361.3293

Catalog Number:

AG00GEEM

Chemical Name:

1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-nitro-1-(phenylsulfonyl)-, methyl ester

CAS Number:

858340-91-7

Molecular Formula:

C15H11N3O6S

Molecular Weight:

361.3293

MDL Number:

MFCD11616458

IUPAC Name:

methyl 1-(benzenesulfonyl)-5-nitropyrrolo[2,3-b]pyridine-3-carboxylate

InChI:

InChI=1S/C15H11N3O6S/c1-24-15(19)13-9-17(25(22,23)11-5-3-2-4-6-11)14-12(13)7-10(8-16-14)18(20)21/h2-9H,1H3

InChI Key:

FPYPFZYYLWIUGY-UHFFFAOYSA-N

SMILES:

COC(=O)c1cn(c2c1cc(cn2)[N+](=O)[O-])S(=O)(=O)c1ccccc1

Complexity:

622

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

361.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.328g/mol

Monoisotopic Mass:

361.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

133A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2