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101003-80-9 | Benzoic acid, 3,5-dichloro-4-hydroxy-, propyl ester
CAS No: 101003-80-9 Catalog No: AG0003I4 MDL No:MFCD00017629
Product Description
Catalog Number:
AG0003I4
Chemical Name:
Benzoic acid, 3,5-dichloro-4-hydroxy-, propyl ester
CAS Number:
101003-80-9
Molecular Formula:
C10H10Cl2O3
Molecular Weight:
249.0906
MDL Number:
MFCD00017629
IUPAC Name:
propyl 3,5-dichloro-4-hydroxybenzoate
InChI:
InChI=1S/C10H10Cl2O3/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,13H,2-3H2,1H3
InChI Key:
WZTZPDOCOFUQFM-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1cc(Cl)c(c(c1)Cl)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.087g/mol
Monoisotopic Mass:
248.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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