Home Amines 1022961-12-1
1022961-12-1,MFCD11193640
Catalog No.:AA00071X
1022961-12-1 | 2-Amino-3-chloro-5-fluorobenzoic acid
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100mg
95%
in stock  
$13.00   $9.00
- +
250mg
95%
in stock  
$20.00   $14.00
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Technical Information
Catalog Number:
AA00071X
Chemical Name:
2-Amino-3-chloro-5-fluorobenzoic acid
CAS Number:
1022961-12-1
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
MDL Number:
MFCD11193640
IUPAC Name:
2-amino-3-chloro-5-fluorobenzoic acid
InChI:
InChI=1S/C7H5ClFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2H,10H2,(H,11,12)
InChI Key:
VVVXUPVSKDWTEH-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)c(c(c1)C(=O)O)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:
188.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.57g/mol
Monoisotopic Mass:
188.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
2-amino-3-chloro-5-fluorobenzoic acid 
1022961-12-1 
AK155136 
AS-44173 
SY038415 
Benzoic acid, 2-amino-3-chloro-5-fluoro- 
Y1336 
MFCD11193640 (95%) 
Z-6089 
Z1839480640 
C7H5ClFNO2 
ACN-045099 
2-amino-3-chloro-5-fluoro-benzoic acid 
SCHEMBL2062742 
VVVXUPVSKDWTEH-UHFFFAOYSA-N 
MFCD11193640 
ZINC20475944 
AKOS009259858 
MCULE-7733905668 
AJ-77799 
Literature
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