Cas no 38916-51-7 (Benzoic acid, 3-(chloromethyl)-, phenylmethyl ester)
38916-51-7 structure
Product Name:Benzoic acid, 3-(chloromethyl)-, phenylmethyl ester
CAS No:38916-51-7
MF:C15H13ClO2
MW:260.715523481369
CID:1494724
PubChem ID:23024778
Update Time:2025-04-21
Benzoic acid, 3-(chloromethyl)-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(chloromethyl)-, phenylmethyl ester
- DB-197840
- VTFOWOFXLWPGBM-UHFFFAOYSA-N
- 38916-51-7
- SCHEMBL318600
- benzyl 3-(chloromethyl)benzoate
-
- Inchi： 1S/C15H13ClO2/c16-10-13-7-4-8-14(9-13)15(17)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2
- InChI Key： VTFOWOFXLWPGBM-UHFFFAOYSA-N
- SMILES： ClCC1C=CC=C(C(=O)OCC2C=CC=CC=2)C=1
Computed Properties
- Exact Mass: 260.06049
- Monoisotopic Mass: 260.0604073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 261
- 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: 4.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 3-(chloromethyl)-, phenylmethyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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