Home Bromides 116-69-8
116-69-8,MFCD17069368
Catalog No.:AA000B9N
116-69-8 | 3-Bromophthalic acid
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Purity
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Price(USD)
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250mg
97%
in stock  
$11.00   $8.00
- +
1g
97%
in stock  
$26.00   $18.00
- +
5g
97%
in stock  
$94.00   $66.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000B9N
Chemical Name:
3-Bromophthalic acid
CAS Number:
116-69-8
Molecular Formula:
C8H5BrO4
Molecular Weight:
245.0269
MDL Number:
MFCD17069368
IUPAC Name:
3-bromophthalic acid
InChI:
InChI=1S/C8H5BrO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
OIGFNQRFPUUACU-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)cccc1C(=O)O
Properties
Computed Properties
 
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.937g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.028g/mol
Monoisotopic Mass:
243.937g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
3-bromophthalic Acid 
116-69-8 
DTXSID90461661 
OIGFNQRFPUUACU-UHFFFAOYSA-N 
ACT08998 
BCP26228 
2726AA 
ANW-59552 
MFCD17069368 
SC3841 
ZINC20198570 
AKOS015902269 
3-Bromo-phthalic acid 
1,2-Benzenedicarboxylicacid, 3-bromo- 
FCH1317399 
AJ-76283 
BC004425 
DS-15005 
AB0088281 
AX8165698 
DB-060903 
TC-148297 
CS-0039104 
1,2-Benzenedicarboxylic acid, 3-bromo- 
FT-0730934 
ST24041973 
3-BROMOBENZENE-1,2-DICARBOXYLIC ACID 
X-2227 
I14-13781 
C8H5BrO4 
ACN-030008 
CID11299563 
A15998 
3-BROMO-1,2-BENZENEDICARBOXYLIC ACID 
1,2-Benzenedicarboxylic acid, bromo- 
AK-49285 
3-bromo phthalic acid 
SCHEMBL241422 
CTK0H1583 
Literature
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