Cas no 85392-25-2 ((4-chlorophenyl)methyl 4-hydroxybenzoate)
85392-25-2 structure
Product Name:(4-chlorophenyl)methyl 4-hydroxybenzoate
CAS No:85392-25-2
MF:C14H11ClO3
MW:262.688343286514
CID:990379
PubChem ID:2624924
Update Time:2025-04-20
(4-chlorophenyl)methyl 4-hydroxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- (4-chlorophenyl)methyl 4-hydroxybenzoate
- UNII-AD6462SQZM
- AD6462SQZM
- 85392-25-2
- Oprea1_511398
- Z19674823
- EINECS 286-884-0
- Benzoic acid, 4-hydroxy-, (4-chlorophenyl)methyl ester
- SCHEMBL830094
- Q27273880
- NS00038920
- AKOS002504862
- DTXSID50234590
- WAOCEEXLEFNWKA-UHFFFAOYSA-N
-
- Inchi： 1S/C14H11ClO3/c15-12-5-1-10(2-6-12)9-18-14(17)11-3-7-13(16)8-4-11/h1-8,16H,9H2
- InChI Key： WAOCEEXLEFNWKA-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)COC(C1C=CC(=CC=1)O)=O
Computed Properties
- Exact Mass: 262.039672
- Monoisotopic Mass: 262.039672
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 46.5
Experimental Properties
- Density: 1.323
- Boiling Point: 417°C at 760 mmHg
- Flash Point: 206°C
- Refractive Index: 1.615
(4-chlorophenyl)methyl 4-hydroxybenzoate Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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