Home Bromides 1186663-64-8
1186663-64-8,MFCD12828700
Catalog No.:AA003IYU
1186663-64-8 | 3-Bromo-4-cyanoindole
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>97%
in stock  
$64.00   $45.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IYU
Chemical Name:
3-Bromo-4-cyanoindole
CAS Number:
1186663-64-8
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
MDL Number:
MFCD12828700
IUPAC Name:
3-bromo-1H-indole-4-carbonitrile
InChI:
InChI=1S/C9H5BrN2/c10-7-5-12-8-3-1-2-6(4-11)9(7)8/h1-3,5,12H
InChI Key:
FFSJNHMOWYMQJQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(Br)c[nH]2
Properties
Computed Properties
 
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.964g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.057g/mol
Monoisotopic Mass:
219.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
3-BROMO-4-CYANOINDOLE 
1186663-64-8 
ANW-17156 
MFCD12828700 
ZINC42684391 
AKOS015898451 
DS-8239 
FCH1377227 
TRA0065278 
BBV-40253334 
SY006254 
AB0061436 
3-BROMO-1H-INDOLE-4-CARBONITRILE 
AB1000730 
DB-014639 
TC-105901 
CS-0042036 
FT-0766136 
Z7938 
Z-3978 
MFCD12828700 (97+%) 
I10-0840 
null 
AK173261 
C9H5BrN2 
ACMC-2099xy 
SCHEMBL3778298 
CTK8A9384 
KS-00000EEW 
DTXSID10693846 
FFSJNHMOWYMQJQ-UHFFFAOYSA-N 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A