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1000523-07-8,MFCD09925136
Catalog No.:AA0000M1
1000523-07-8 | Benzeneacetic acid, 2-chloro-3-fluoro-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$47.00
- +
5g
98%
in stock  
$156.00
- +
25g
98%
in stock  
$467.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000M1
Chemical Name:
Benzeneacetic acid, 2-chloro-3-fluoro-
CAS Number:
1000523-07-8
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD09925136
IUPAC Name:
2-(2-chloro-3-fluorophenyl)acetic acid
InChI:
InChI=1S/C8H6ClFO2/c9-8-5(4-7(11)12)2-1-3-6(8)10/h1-3H,4H2,(H,11,12)
InChI Key:
JNMBDAACHFCAKX-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1Cl)F
Properties
Computed Properties
 
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
2-(2-Chloro-3-fluorophenyl)acetic acid 
1000523-07-8 
MFCD09925136 
ZINC44374932 
(2-Chloro-3-fluorophenyl)acetic acid 
AKOS006311894 
AM83158 
CS-W023170 
DS-2334 
Benzeneacetic acid, 2-chloro-3-fluoro- 
AK101139 
AB0065854 
2-Chloro-3-fluorophenylacetic acid 
AJ-109678 
TC-145229 
4CH-009316 
FT-0747362 
ST24027473 
Z3778 
M-9794 
C8H6ClFO2 
2-(2-Chloro-3-fluorophenyl)aceticacid 
ACN-052069 
SCHEMBL17838502 
CTK8B7139 
DTXSID70717178 
KS-000024OJ 
2-Chloro-3-fluorobenzeneacetic acid 
ANW-56484 
CL8958 
Literature
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