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1421457-99-9 | 2-(5,7-DIOXO-5,7-DIHYDRO-PYRROLO[3,4-B]PYRIDIN-6-YL)-ETHANESULFONYL CHLOR+
CAS No: 1421457-99-9 Catalog No: AG01APWQ MDL No:MFCD22587947
Product Description
Catalog Number:
AG01APWQ
Chemical Name:
2-(5,7-DIOXO-5,7-DIHYDRO-PYRROLO[3,4-B]PYRIDIN-6-YL)-ETHANESULFONYL CHLOR+
CAS Number:
1421457-99-9
Molecular Formula:
C9H8Cl2N2O4S
Molecular Weight:
311.1418
MDL Number:
MFCD22587947
IUPAC Name:
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethanesulfonyl chloride;hydrochloride
InChI:
InChI=1S/C9H7ClN2O4S.ClH/c10-17(15,16)5-4-12-8(13)6-2-1-3-11-7(6)9(12)14;/h1-3H,4-5H2;1H
InChI Key:
NNWJIOVKTXBBGD-UHFFFAOYSA-N
SMILES:
O=C1c2ncccc2C(=O)N1CCS(=O)(=O)Cl.Cl
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.958g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.133g/mol
Monoisotopic Mass:
309.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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