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18729-72-1 | 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butane-1-sulfonyl chloride
CAS No: 18729-72-1 Catalog No: AG01B8UR MDL No:MFCD28348140
Product Description
Catalog Number:
AG01B8UR
Chemical Name:
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butane-1-sulfonyl chloride
CAS Number:
18729-72-1
Molecular Formula:
C12H12ClNO4S
Molecular Weight:
301.7460
MDL Number:
MFCD28348140
IUPAC Name:
4-(1,3-dioxoisoindol-2-yl)butane-1-sulfonyl chloride
InChI:
InChI=1S/C12H12ClNO4S/c13-19(17,18)8-4-3-7-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2
InChI Key:
WPSHQXABFAYZRV-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCS(=O)(=O)Cl)C(=O)c2c1cccc2
Properties
Complexity:
447
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:
5
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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