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16218-08-9 | Acetic acid, 2-[(3-bromo-2-naphthalenyl)sulfinyl]-, methyl ester
CAS No: 16218-08-9 Catalog No: AG001SUI MDL No:
Product Description
Catalog Number:
AG001SUI
Chemical Name:
Acetic acid, 2-[(3-bromo-2-naphthalenyl)sulfinyl]-, methyl ester
CAS Number:
16218-08-9
Molecular Formula:
C13H11BrO3S
Molecular Weight:
327.1936
IUPAC Name:
methyl 2-(3-bromonaphthalen-2-yl)sulfinylacetate
InChI:
InChI=1S/C13H11BrO3S/c1-17-13(15)8-18(16)12-7-10-5-3-2-4-9(10)6-11(12)14/h2-7H,8H2,1H3
InChI Key:
DUOGPTKFPMDCMX-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)c1cc2ccccc2cc1Br
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.961g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.192g/mol
Monoisotopic Mass:
325.961g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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