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337496-15-8 | 2-Bromo-benzoic acid 2-oxo-benzo[1,3]oxathiol-5-yl ester
CAS No: 337496-15-8 Catalog No: AG01EVJ8 MDL No:
Product Description
Catalog Number:
AG01EVJ8
Chemical Name:
2-Bromo-benzoic acid 2-oxo-benzo[1,3]oxathiol-5-yl ester
CAS Number:
337496-15-8
Molecular Formula:
C14H7BrO4S
Molecular Weight:
351.1720
IUPAC Name:
(2-oxo-1,3-benzoxathiol-5-yl) 2-bromobenzoate
InChI:
InChI=1S/C14H7BrO4S/c15-10-4-2-1-3-9(10)13(16)18-8-5-6-11-12(7-8)20-14(17)19-11/h1-7H
InChI Key:
VQAKOYDZSYSJOJ-UHFFFAOYSA-N
SMILES:
O=c1oc2c(s1)cc(cc2)OC(=O)c1ccccc1Br
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.925g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.17g/mol
Monoisotopic Mass:
349.925g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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