Home Halogens 3-chloro-2-fluoro-5-methoxybenzoic acid

3-chloro-2-fluoro-5-methoxybenzoic acid

CAS No.:
879541-47-6
Catalog Number:
AG01C2XD
Molecular Formula:
C8H6ClFO3
Molecular Weight:
204.5828
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Product Description
Catalog Number:
AG01C2XD
Chemical Name:
3-chloro-2-fluoro-5-methoxybenzoic acid
CAS Number:
879541-47-6
Molecular Formula:
C8H6ClFO3
Molecular Weight:
204.5828
MDL Number:
MFCD20485132
IUPAC Name:
3-chloro-2-fluoro-5-methoxybenzoic acid
InChI:
InChI=1S/C8H6ClFO3/c1-13-4-2-5(8(11)12)7(10)6(9)3-4/h2-3H,1H3,(H,11,12)
InChI Key:
BKLGWTWENNRQTN-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(c(c1)C(=O)O)F
Properties
Complexity:
200  
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:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties