Home Halogens 3-chloro-2,4-dimethoxybenzoic acid

3-chloro-2,4-dimethoxybenzoic acid

CAS No.:
914933-75-8
Catalog Number:
AG01ACWE
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
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Product Description
Catalog Number:
AG01ACWE
Chemical Name:
3-chloro-2,4-dimethoxybenzoic acid
CAS Number:
914933-75-8
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
MDL Number:
MFCD24494244
IUPAC Name:
3-chloro-2,4-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9ClO4/c1-13-6-4-3-5(9(11)12)8(14-2)7(6)10/h3-4H,1-2H3,(H,11,12)
InChI Key:
CRTJISYFGAVVBI-UHFFFAOYSA-N
SMILES:
COc1c(Cl)c(OC)ccc1C(=O)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