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131524-46-4 | Benzoic acid, 3-chloro-2,4,6-trihydroxy-, phenylmethyl ester
CAS No: 131524-46-4 Catalog No: AG000ZBR MDL No:
Product Description
Catalog Number:
AG000ZBR
Chemical Name:
Benzoic acid, 3-chloro-2,4,6-trihydroxy-, phenylmethyl ester
CAS Number:
131524-46-4
Molecular Formula:
C14H11ClO5
Molecular Weight:
294.6871
IUPAC Name:
benzyl 3-chloro-2,4,6-trihydroxybenzoate
InChI:
InChI=1S/C14H11ClO5/c15-12-10(17)6-9(16)11(13(12)18)14(19)20-7-8-4-2-1-3-5-8/h1-6,16-18H,7H2
InChI Key:
FUMNNYQLNGABBJ-UHFFFAOYSA-N
SMILES:
O=C(c1c(O)cc(c(c1O)Cl)O)OCc1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.03g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.687g/mol
Monoisotopic Mass:
294.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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