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1144524-93-5 | 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butane-2-sulfonyl chloride
CAS No: 1144524-93-5 Catalog No: AG01EIYT MDL No:MFCD31617264
Product Description
Catalog Number:
AG01EIYT
Chemical Name:
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butane-2-sulfonyl chloride
CAS Number:
1144524-93-5
Molecular Formula:
C12H12ClNO4S
Molecular Weight:
301.7460
MDL Number:
MFCD31617264
IUPAC Name:
4-(1,3-dioxoisoindol-2-yl)butane-2-sulfonyl chloride
InChI:
InChI=1S/C12H12ClNO4S/c1-8(19(13,17)18)6-7-14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5,8H,6-7H2,1H3
InChI Key:
YOCMCGODWGOLOP-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)Cl)CCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.741g/mol
Monoisotopic Mass:
301.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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