Home Halogens Benzoic acid, 3-chloro-4-hydroxy-, ethyl ester

Benzoic acid, 3-chloro-4-hydroxy-, ethyl ester

CAS No.:
16357-41-8
Catalog Number:
AG001U8S
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
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Product Description
Catalog Number:
AG001U8S
Chemical Name:
Benzoic acid, 3-chloro-4-hydroxy-, ethyl ester
CAS Number:
16357-41-8
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD05664241
IUPAC Name:
ethyl 3-chloro-4-hydroxybenzoate
InChI:
InChI=1S/C9H9ClO3/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5,11H,2H2,1H3
InChI Key:
QBOWIPYEPOVPGR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Cl)O
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties