Home Bromides 916179-87-8
916179-87-8,MFCD12828698
Catalog No.:AA003J1Q
916179-87-8 | 3-Bromoindole-5-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$88.00   $61.00
- +
5g
98%
in stock  
$260.00   $182.00
- +
10g
98%
in stock  
$435.00   $305.00
- +
25g
98%
in stock  
$821.00   $575.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003J1Q
Chemical Name:
3-Bromoindole-5-carboxylic acid
CAS Number:
916179-87-8
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD12828698
IUPAC Name:
3-bromo-1H-indole-5-carboxylic acid
InChI:
InChI=1S/C9H6BrNO2/c10-7-4-11-8-2-1-5(9(12)13)3-6(7)8/h1-4,11H,(H,12,13)
InChI Key:
VCNFRMMIMOPFGP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(Br)c[nH]c2cc1
Properties
Computed Properties
 
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
3-BROMOINDOLE-5-CARBOXYLIC ACID 
916179-87-8 
KM3045 
MFCD12828698 
ZINC42684388 
AKOS015898354 
FCH1326063 
TRA0065128 
AK208622 
DS-10158 
SY006247 
AB1000723 
3-BROMO-1H-INDOLE-5-CARBOXYLIC ACID 
TC-307412 
CS-0041629 
FT-0740643 
V9109 
MFCD12828698 (95+%) 
I10-0817 
null 
C9H6BrNO2 
3-Bromoindole-5-carboxylicAcid 
26583-60-8 
SCHEMBL5434547 
1218915-91-3 
CTK8E1784 
KS-00000CII 
DTXSID30693843 
VCNFRMMIMOPFGP-UHFFFAOYSA-N 
3-Bromo-indole-5-carboxylic Acid 
BCP11454 
Literature
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