Home Halogens methyl 3-(benzylsulfanyl)-5-bromobenzoate

methyl 3-(benzylsulfanyl)-5-bromobenzoate

CAS No.:
1803609-32-6
Catalog Number:
AG01A5Y2
Molecular Formula:
C15H13BrO2S
Molecular Weight:
337.2315
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Product Description
Catalog Number:
AG01A5Y2
Chemical Name:
methyl 3-(benzylsulfanyl)-5-bromobenzoate
CAS Number:
1803609-32-6
Molecular Formula:
C15H13BrO2S
Molecular Weight:
337.2315
MDL Number:
MFCD28714496
IUPAC Name:
methyl 3-benzylsulfanyl-5-bromobenzoate
InChI:
InChI=1S/C15H13BrO2S/c1-18-15(17)12-7-13(16)9-14(8-12)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
RXYQVBSVJIZVLI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(SCc2ccccc2)cc(c1)Br
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.982g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.231g/mol
Monoisotopic Mass:
335.982g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties