Home Halogens Caproic acid 2,4,6-tribromophenyl ester

Caproic acid 2,4,6-tribromophenyl ester

CAS No.:
16732-09-5
Catalog Number:
AG001XAY
Molecular Formula:
C12H13Br3O2
Molecular Weight:
428.9424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
98%
1 week
United States
$140
- +
25g
>97.0%(GC)
1 week
United States
$282
- +
Product Description
Catalog Number:
AG001XAY
Chemical Name:
Caproic acid 2,4,6-tribromophenyl ester
CAS Number:
16732-09-5
Molecular Formula:
C12H13Br3O2
Molecular Weight:
428.9424
MDL Number:
MFCD00059464
IUPAC Name:
(2,4,6-tribromophenyl) hexanoate
InChI:
InChI=1S/C12H13Br3O2/c1-2-3-4-5-11(16)17-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3
InChI Key:
WKADNUIXFNFRSW-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)Oc1c(Br)cc(cc1Br)Br
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.845g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.946g/mol
Monoisotopic Mass:
425.847g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties