Home Halogens Methyl 2-((3-bromophenyl)thio)acetate

Methyl 2-((3-bromophenyl)thio)acetate

CAS No.:
865707-52-4
Catalog Number:
AG01AUCK
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$212
- +
5g
99%
1 week
United States
$559
- +
Product Description
Catalog Number:
AG01AUCK
Chemical Name:
Methyl 2-((3-bromophenyl)thio)acetate
CAS Number:
865707-52-4
Molecular Formula:
C9H9BrO2S
Molecular Weight:
261.1356
MDL Number:
MFCD17225259
IUPAC Name:
methyl 2-(3-bromophenyl)sulfanylacetate
InChI:
InChI=1S/C9H9BrO2S/c1-12-9(11)6-13-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3
InChI Key:
IQETZXNXLWFXBH-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1cccc(c1)Br
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.951g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.133g/mol
Monoisotopic Mass:
259.951g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties