Cas no 67852-95-3 (Benzoic acid, 4-(chlorocarbonyl)-, phenylmethyl ester)
67852-95-3 structure
Product Name:Benzoic acid, 4-(chlorocarbonyl)-, phenylmethyl ester
CAS No:67852-95-3
MF:C15H11ClO3
MW:274.699043512344
CID:394024
PubChem ID:19735978
Update Time:2025-04-19
Benzoic acid, 4-(chlorocarbonyl)-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(chlorocarbonyl)-, phenylmethyl ester
- benzyl 4-carbonochloridoylbenzoate
- benzyl 4-chloroformylbenzoate
- 4-(benzyloxycarbonyl)benzoyl chloride
- Benzyl 4-(chlorocarbonyl)benzoate
- 67852-95-3
- OADZZKGIPRHHFN-UHFFFAOYSA-N
- SCHEMBL8788284
- DTXSID30599432
-
- Inchi： 1S/C15H11ClO3/c16-14(17)12-6-8-13(9-7-12)15(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2
- InChI Key： OADZZKGIPRHHFN-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(C(=O)OCC2C=CC=CC=2)=CC=1)=O
Computed Properties
- Exact Mass: 274.0396719g/mol
- Monoisotopic Mass: 274.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 315
- 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: 4.5
- Topological Polar Surface Area: 43.4?2
Benzoic acid, 4-(chlorocarbonyl)-, phenylmethyl ester Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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