Home Halogens 3-chloro-4-ethoxy-5-methoxybenzoic acid

3-chloro-4-ethoxy-5-methoxybenzoic acid

CAS No.:
712294-48-9
Catalog Number:
AG00IC5O
Molecular Formula:
C10H11ClO4
Molecular Weight:
230.6449
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Product Description
Catalog Number:
AG00IC5O
Chemical Name:
3-chloro-4-ethoxy-5-methoxybenzoic acid
CAS Number:
712294-48-9
Molecular Formula:
C10H11ClO4
Molecular Weight:
230.6449
MDL Number:
MFCD05739841
IUPAC Name:
3-chloro-4-ethoxy-5-methoxybenzoic acid
InChI:
InChI=1S/C10H11ClO4/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5H,3H2,1-2H3,(H,12,13)
InChI Key:
JVMOVETVCDRYIV-UHFFFAOYSA-N
SMILES:
CCOc1c(Cl)cc(cc1OC)C(=O)O
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.644g/mol
Monoisotopic Mass:
230.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties