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63345-34-6 | 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentane-1-sulfonyl chloride
CAS No: 63345-34-6 Catalog No: AG01EIW4 MDL No:MFCD31559819
Product Description
Catalog Number:
AG01EIW4
Chemical Name:
5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentane-1-sulfonyl chloride
CAS Number:
63345-34-6
Molecular Formula:
C13H14ClNO4S
Molecular Weight:
315.7726
MDL Number:
MFCD31559819
IUPAC Name:
5-(1,3-dioxoisoindol-2-yl)pentane-1-sulfonyl chloride
InChI:
InChI=1S/C13H14ClNO4S/c14-20(18,19)9-5-1-4-8-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2
InChI Key:
VOYSCQYOHPWPEV-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCCS(=O)(=O)Cl)C(=O)c2c1cccc2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.768g/mol
Monoisotopic Mass:
315.033g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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