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20386-93-0 | Benzenemethanol, 4-chloro-, 1-benzoate
CAS No: 20386-93-0 Catalog No: AG002960 MDL No:
Product Description
Catalog Number:
AG002960
Chemical Name:
Benzenemethanol, 4-chloro-, 1-benzoate
CAS Number:
20386-93-0
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
IUPAC Name:
(4-chlorophenyl)methyl benzoate
InChI:
InChI=1S/C14H11ClO2/c15-13-8-6-11(7-9-13)10-17-14(16)12-4-2-1-3-5-12/h1-9H,10H2
InChI Key:
ARLTXMAKDGVKNK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COC(=O)c1ccccc1
NSC Number:
408869
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.69g/mol
Monoisotopic Mass:
246.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Inhibitory effects of benzyl benzoate and its derivatives on angiotensin II-induced hypertension. | Bioorganic & medicinal chemistry 20080815 |
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