Home Amines 1027512-98-6
1027512-98-6,MFCD09800713
Catalog No.:AA00087C
1027512-98-6 | 4-Amino-3-bromo-5-fluorobenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
1 week  
$94.00   $66.00
- +
5g
95%
1 week  
$253.00   $177.00
- +
25g
95%
1 week  
$1,158.00   $810.00
- +
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Technical Information
Catalog Number:
AA00087C
Chemical Name:
4-Amino-3-bromo-5-fluorobenzoic acid
CAS Number:
1027512-98-6
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD09800713
IUPAC Name:
4-amino-3-bromo-5-fluorobenzoic acid
InChI:
InChI=1S/C7H5BrFNO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChI Key:
PJVAVLLTKLXTFX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1)Br)N
Properties
Computed Properties
 
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.949g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.024g/mol
Monoisotopic Mass:
232.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
4-Amino-3-bromo-5-fluorobenzoic acid 
1027512-98-6 
AJ-84393 
Benzoic acid, 4-amino-3-bromo-5-fluoro- 
AB0065276 
AX8256689 
ST2418090 
4CH-012530 
Z3815 
M-9154 
C7H5BrFNO2 
4-Amino-3-bromo-5-fluorobenzoicacid 
AK134869 
KS-00000RLI 
DTXSID30605360 
MFCD09800713 
ZINC31829462 
AKOS016842554 
DS-1981 
FCH1393388 
Literature
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