Home Halogens methyl 5-chloro-4-hydroxy-2-methoxybenzoate

methyl 5-chloro-4-hydroxy-2-methoxybenzoate

CAS No.:
28478-47-9
Catalog Number:
AG01DWAU
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
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Product Description
Catalog Number:
AG01DWAU
Chemical Name:
methyl 5-chloro-4-hydroxy-2-methoxybenzoate
CAS Number:
28478-47-9
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
MDL Number:
MFCD24714555
IUPAC Name:
methyl 5-chloro-4-hydroxy-2-methoxybenzoate
InChI:
InChI=1S/C9H9ClO4/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4,11H,1-2H3
InChI Key:
CGVQMFDUPUQCBB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(cc1OC)O
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.617g/mol
Monoisotopic Mass:
216.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties