Home Bromides 1794-89-4
1794-89-4,MFCD00021796
Catalog No.:AA0026X4
1794-89-4 | Octadecanoic acid, 9,10,12,13-tetrabromo-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$98.00
- +
5g
95%
in stock  
$272.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0026X4
Chemical Name:
Octadecanoic acid, 9,10,12,13-tetrabromo-
CAS Number:
1794-89-4
Molecular Formula:
C18H32Br4O2
Molecular Weight:
600.0615
MDL Number:
MFCD00021796
IUPAC Name:
9,10,12,13-tetrabromooctadecanoic acid
InChI:
InChI=1S/C18H32Br4O2/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17H,2-13H2,1H3,(H,23,24)
InChI Key:
HTORNZPNCYXGMR-UHFFFAOYSA-N
SMILES:
CCCCCC(C(CC(C(CCCCCCCC(=O)O)Br)Br)Br)Br
EC Number:
217-266-0
NSC Number:
148709
Properties
Computed Properties
 
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
599.909g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
600.068g/mol
Monoisotopic Mass:
595.914g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4  

Synonyms
 
1794-89-4 
9,10,12,13-Tetrabromooctadecanoic acid 
SCHEMBL4801632 
HTORNZPNCYXGMR-UHFFFAOYSA-N 
ANW-22976 
LMFA01090085 
MFCD00021796 
NSC148709 
AKOS024399252 
MCULE-5699970872 
NSC-148709 
KS-000000X5 
9,10,12,13-Tetrabromostearic acid 
AK308910 
TC-111721 
I14-57336 
3-Ethylthiophene 
C18H32Br4O2 
C18-H32-Br4-O2 
CID98942 
AR-1H5150 
T0047 
18283-14-2 
Octadecanoic acid, 9,10,12,13-tetrabromo- 
9,10,12,13-tetrabromo-stearic acid 
9,10,12,13-tetrabromo-octadecanoic acid 
EINECS 217-266-0 
ACMC-1BOZP 
AC1Q24AV 
AC1L40J9 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: