Name: Name:7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2-chloro-7-(phenylsulfonyl)-
Brand: Angene
SKU: AG001UHY
Rating: 90 (10 reviews)

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2-chloro-7-(phenylsulfonyl)-

CAS No.:

1638767-43-7

Catalog Number:

AG001UHY

Molecular Formula:

C13H8ClN3O4S

Molecular Weight:

337.7383

Catalog Number:

AG001UHY

Chemical Name:

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2-chloro-7-(phenylsulfonyl)-

CAS Number:

1638767-43-7

Molecular Formula:

C13H8ClN3O4S

Molecular Weight:

337.7383

MDL Number:

MFCD27987385

IUPAC Name:

7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidine-6-carboxylic acid

InChI:

InChI=1S/C13H8ClN3O4S/c14-13-15-7-8-6-10(12(18)19)17(11(8)16-13)22(20,21)9-4-2-1-3-5-9/h1-7H,(H,18,19)

InChI Key:

AMGRLUQLXMPYJB-UHFFFAOYSA-N

SMILES:

Clc1ncc2c(n1)n(c(c2)C(=O)O)S(=O)(=O)c1ccccc1

Complexity:

532

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.992g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

337.734g/mol

Monoisotopic Mass:

336.992g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7