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207844-54-0

207844-54-0 | 1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl chloride

CAS No: 207844-54-0 Catalog No: AG019N62 MDL No:MFCD12068351

Product Description

Catalog Number:
AG019N62
Chemical Name:
1,3-dioxo-2,3-dihydro-1H-isoindole-5-sulfonyl chloride
CAS Number:
207844-54-0
Molecular Formula:
C8H4ClNO4S
Molecular Weight:
245.6397
MDL Number:
MFCD12068351
IUPAC Name:
1,3-dioxoisoindole-5-sulfonyl chloride
InChI:
InChI=1S/C8H4ClNO4S/c9-15(13,14)4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)
InChI Key:
SUEUJJPJLQOTBB-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1cc(cc2)S(=O)(=O)Cl

Properties

Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.955g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.633g/mol
Monoisotopic Mass:
244.955g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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