Home Bromides 21816-08-0
21816-08-0,MFCD00167820
Catalog No.:AA003J14
21816-08-0 | 3-Bromoadamantane-1-carboxylic acid
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Purity
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1g
98%
in stock  
$7.00   $5.00
- +
5g
98%
in stock  
$22.00   $16.00
- +
25g
98%
in stock  
$75.00   $52.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003J14
Chemical Name:
3-Bromoadamantane-1-carboxylic acid
CAS Number:
21816-08-0
Molecular Formula:
C11H15BrO2
Molecular Weight:
259.1396
MDL Number:
MFCD00167820
IUPAC Name:
3-bromoadamantane-1-carboxylic acid
InChI:
InChI=1S/C11H15BrO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)
InChI Key:
DJUDQBVINJIMFO-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3CC(C1)CC(C2)(C3)Br
Properties
Computed Properties
 
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.143g/mol
Monoisotopic Mass:
258.026g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
3-bromoadamantane-1-carboxylic acid 
21816-08-0 
3-bromotricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid 
MFCD00167820 
ACMC-1CNBW 
AC1L1KBP 
Maybridge1_005590 
DivK1c_001878 
SCHEMBL131414 
AC1Q749A 
CTK1A1870 
HMS557G02 
3-Bromo-adamantane-1-carboxylic acid 
DJUDQBVINJIMFO-UHFFFAOYSA-N 
AC1Q7499 
ALBB-013714 
BUTTPARK 179\12-52 
BBL033826 
GEO-03452 
NRB 01917 
SBB072579 
STK733910 
AKOS000114514 
1-Bromo-3-adamantanecarboxylic acid 
AKOS016038556 
AM81166 
CB-1408 
CCG-247256 
MCULE-2415668402 
TRA0073731 
CDS1_000838 
NCGC00339462-01 
AS-48471 
BC003370 
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-bromo- 
LS-14968 
AB0103781 
DB-003033 
TC-169783 
BB 0262338 
FT-0615188 
ST45028507 
EN300-00060 
AB01332414-02 
AG-664/01329050 
BRN 2103177 
W-201896 
Z56757155 
F0035-0448 
tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid, 3-bromo- 
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-bromo- 
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 3-bromo- (9CI) 
CID30818 
3-bromo-1-adamantanecarboxylic acid 
3-ADAMANTANECARBOXYLIC ACID, 1-BROMO- 
3-bromoadamantanecarboxylic acid 
(5S,7R)-3-bromoadamantane-1-carboxylate 
Literature
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