Home Halogens 3-(3-bromophenyl)-2-(1,1-dioxo-1lambda6-thiolan-3-yl)propanoic acid

3-(3-bromophenyl)-2-(1,1-dioxo-1lambda6-thiolan-3-yl)propanoic acid

CAS No.:
1184225-10-2
Catalog Number:
AG01AKFR
Molecular Formula:
C13H15BrO4S
Molecular Weight:
347.2248
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AKFR
Chemical Name:
3-(3-bromophenyl)-2-(1,1-dioxo-1lambda6-thiolan-3-yl)propanoic acid
CAS Number:
1184225-10-2
Molecular Formula:
C13H15BrO4S
Molecular Weight:
347.2248
MDL Number:
MFCD12604826
IUPAC Name:
3-(3-bromophenyl)-2-(1,1-dioxothiolan-3-yl)propanoic acid
InChI:
InChI=1S/C13H15BrO4S/c14-11-3-1-2-9(6-11)7-12(13(15)16)10-4-5-19(17,18)8-10/h1-3,6,10,12H,4-5,7-8H2,(H,15,16)
InChI Key:
JXNFFYMTEVUTMU-UHFFFAOYSA-N
SMILES:
OC(=O)C(C1CCS(=O)(=O)C1)Cc1cccc(c1)Br
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.987g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
347.223g/mol
Monoisotopic Mass:
345.987g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties