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85303-64-6 | Benzoic acid, 3-chloro-4-hydroxy-, phenylmethyl ester
CAS No: 85303-64-6 Catalog No: AG004P8V MDL No:
Product Description
Catalog Number:
AG004P8V
Chemical Name:
Benzoic acid, 3-chloro-4-hydroxy-, phenylmethyl ester
CAS Number:
85303-64-6
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
IUPAC Name:
benzyl 3-chloro-4-hydroxybenzoate
InChI:
InChI=1S/C14H11ClO3/c15-12-8-11(6-7-13(12)16)14(17)18-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChI Key:
RXDJDBKNFDLEOQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)Cl)O)OCc1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.689g/mol
Monoisotopic Mass:
262.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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