Home Bromides 101460-22-4
101460-22-4,MFCD00191620
Catalog No.:AA0004G3
101460-22-4 | 3-Bromo-2,5,6-trimethoxybenzoic acid
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1g
>97.0%(T)
1 week  
$375.00   $262.00
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Technical Information
Catalog Number:
AA0004G3
Chemical Name:
3-Bromo-2,5,6-trimethoxybenzoic acid
CAS Number:
101460-22-4
Molecular Formula:
C10H11BrO5
Molecular Weight:
291.0953
MDL Number:
MFCD00191620
IUPAC Name:
3-bromo-2,5,6-trimethoxybenzoic acid
InChI:
InChI=1S/C10H11BrO5/c1-14-6-4-5(11)8(15-2)7(10(12)13)9(6)16-3/h4H,1-3H3,(H,12,13)
InChI Key:
YHDRAWVCUZZYCU-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c(c1OC)C(=O)O)OC
Properties
Computed Properties
 
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.979g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.097g/mol
Monoisotopic Mass:
289.979g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3-Bromo-2,5,6-trimethoxybenzoic acid 
101460-22-4 
ANW-14468 
MFCD00191620 
3-Bromo-2,5,6-trimethoxybenzoicacid 
AKOS005081636 
MCULE-4882070340 
3-bromo-2,5,6-trimethoxy-benzoic acid 
KS-000014N5 
AJ-47886 
Benzoic acid,3-bromo-2,5,6-trimethoxy- 
AX8084897 
ACMC-1BRHS 
TC-103213 
AM20020083 
SR-01000307919 
12W-0890 
SR-01000307919-1 
I14-106781 
InChI=1/C10H11BrO5/c1-14-6-4-5(11)8(15-2)7(10(12)13)9(6)16-3/h4H,1-3H3,(H,12,13) 
CID625925 
Benzoic acid, 3-bromo-2,5,6-trimethoxy- 
B1740 
AC1LCE60 
SCHEMBL7827643 
CTK3J9806 
YHDRAWVCUZZYCU-UHFFFAOYSA- 
DTXSID90347794 
YHDRAWVCUZZYCU-UHFFFAOYSA-N 
ZINC4073042 
Literature
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