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135204-19-2 | (1,1-Dioxidobenzo[b]thiophen-2-yl)methyl carbonochloridate
CAS No: 135204-19-2 Catalog No: AG003D8V MDL No:MFCD01090984
Product Description
Catalog Number:
AG003D8V
Chemical Name:
(1,1-Dioxidobenzo[b]thiophen-2-yl)methyl carbonochloridate
CAS Number:
135204-19-2
Molecular Formula:
C10H7ClO4S
Molecular Weight:
258.6782
MDL Number:
MFCD01090984
IUPAC Name:
(1,1-dioxo-1-benzothiophen-2-yl)methyl carbonochloridate
InChI:
InChI=1S/C10H7ClO4S/c11-10(12)15-6-8-5-7-3-1-2-4-9(7)16(8,13)14/h1-5H,6H2
InChI Key:
ZYXGPSYADVTJGF-UHFFFAOYSA-N
SMILES:
ClC(=O)OCC1=Cc2c(S1(=O)=O)cccc2
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.975g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.672g/mol
Monoisotopic Mass:
257.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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