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1025718-86-8 | Benzoic acid, 4-chloro-3-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1025718-86-8 Catalog No: AG0007SK MDL No:
Product Description
Catalog Number:
AG0007SK
Chemical Name:
Benzoic acid, 4-chloro-3-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1025718-86-8
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
IUPAC Name:
tert-butyl 4-chloro-3-hydroxybenzoate
InChI:
InChI=1S/C11H13ClO3/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6,13H,1-3H3
InChI Key:
LAUXAGDOSABAHL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)O)Cl)OC(C)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.672g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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