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1638767-43-7 | 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 2-chloro-7-(phenylsulfonyl)-
CAS No: 1638767-43-7 Catalog No: AG001UHY MDL No:MFCD27987385
Product Description
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
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.992g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.734g/mol
Monoisotopic Mass:
336.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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