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

3-chloro-5-ethoxy-4-hydroxybenzoic acid

CAS No.:
733030-51-8
Catalog Number:
AG00ICDW
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00ICDW
Chemical Name:
3-chloro-5-ethoxy-4-hydroxybenzoic acid
CAS Number:
733030-51-8
Molecular Formula:
C9H9ClO4
Molecular Weight:
216.6184
MDL Number:
MFCD04635820
IUPAC Name:
3-chloro-5-ethoxy-4-hydroxybenzoic acid
InChI:
InChI=1S/C9H9ClO4/c1-2-14-7-4-5(9(12)13)3-6(10)8(7)11/h3-4,11H,2H2,1H3,(H,12,13)
InChI Key:
AWZRDODNKDGNKP-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(c1O)Cl)C(=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:
2  
Isotope Atom Count:
0
Molecular Weight:
216.617g/mol
Monoisotopic Mass:
216.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties