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115010-10-1 | Benzo[d][1,3]dioxole-5-sulfonyl chloride
CAS No: 115010-10-1 Catalog No: AG000FKU MDL No:MFCD04974524
Product Description
Catalog Number:
AG000FKU
Chemical Name:
Benzo[d][1,3]dioxole-5-sulfonyl chloride
CAS Number:
115010-10-1
Molecular Formula:
C7H5ClO4S
Molecular Weight:
220.6302
MDL Number:
MFCD04974524
IUPAC Name:
1,3-benzodioxole-5-sulfonyl chloride
InChI:
InChI=1S/C7H5ClO4S/c8-13(9,10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
InChI Key:
ICUBASIDCXDQAW-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc2c(c1)OCO2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.623g/mol
Monoisotopic Mass:
219.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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