Home Halogens 2-(4-chloro-3-fluorophenoxy)acetic acid

2-(4-chloro-3-fluorophenoxy)acetic acid

CAS No.:
331-41-9
Catalog Number:
AG01AM5B
Molecular Formula:
C8H6ClFO3
Molecular Weight:
204.5828
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Product Description
Catalog Number:
AG01AM5B
Chemical Name:
2-(4-chloro-3-fluorophenoxy)acetic acid
CAS Number:
331-41-9
Molecular Formula:
C8H6ClFO3
Molecular Weight:
204.5828
MDL Number:
MFCD06823830
IUPAC Name:
2-(4-chloro-3-fluorophenoxy)acetic acid
InChI:
InChI=1S/C8H6ClFO3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
MJANPPVGNVZMAI-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c(c1)F)Cl
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.581g/mol
Monoisotopic Mass:
203.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties