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92613-08-6

92613-08-6 | Benzo[b]thiophene-3-carboperoxoic acid, 1,1-dimethylethyl ester

CAS No: 92613-08-6 Catalog No: AG006G21 MDL No:

Product Description

Catalog Number:
AG006G21
Chemical Name:
Benzo[b]thiophene-3-carboperoxoic acid, 1,1-dimethylethyl ester
CAS Number:
92613-08-6
Molecular Formula:
C13H14O3S
Molecular Weight:
250.3135
IUPAC Name:
tert-butyl 1-benzothiophene-3-carboperoxoate
InChI:
InChI=1S/C13H14O3S/c1-13(2,3)16-15-12(14)10-8-17-11-7-5-4-6-9(10)11/h4-8H,1-3H3
InChI Key:
NBXZFSJHXSXQPB-UHFFFAOYSA-N
SMILES:
O=C(c1csc2c1cccc2)OOC(C)(C)C

Properties

Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.066g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.312g/mol
Monoisotopic Mass:
250.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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