Home Halogens 3-chloro-4-ethylbenzoic acid

3-chloro-4-ethylbenzoic acid

CAS No.:
67648-07-1
Catalog Number:
AG01B9QG
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
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Product Description
Catalog Number:
AG01B9QG
Chemical Name:
3-chloro-4-ethylbenzoic acid
CAS Number:
67648-07-1
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD18410966
IUPAC Name:
3-chloro-4-ethylbenzoic acid
InChI:
InChI=1S/C9H9ClO2/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
OSIAOEJRKVOTDE-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1Cl)C(=O)O
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties