Cas no 603108-74-3 (BENZENEACETIC ACID, 2-METHYL-5-NITRO-, PHENYLMETHYL ESTER)
603108-74-3 structure
Product Name:BENZENEACETIC ACID, 2-METHYL-5-NITRO-, PHENYLMETHYL ESTER
CAS No:603108-74-3
MF:C16H15NO4
MW:285.294604539871
CID:3370105
PubChem ID:67311651
Update Time:2025-04-21
BENZENEACETIC ACID, 2-METHYL-5-NITRO-, PHENYLMETHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- BENZENEACETIC ACID, 2-METHYL-5-NITRO-, PHENYLMETHYL ESTER
- DB-100868
- 603108-74-3
- benzyl 2-(2-methyl-5-nitrophenyl)acetate
- LHXOHBJRVWCWRW-UHFFFAOYSA-N
- SCHEMBL2191054
-
- Inchi： 1S/C16H15NO4/c1-12-7-8-15(17(19)20)9-14(12)10-16(18)21-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
- InChI Key： LHXOHBJRVWCWRW-UHFFFAOYSA-N
- SMILES： C1(CC(OCC2=CC=CC=C2)=O)=CC([N+]([O-])=O)=CC=C1C
Computed Properties
- Exact Mass: 285.10010796Da
- Monoisotopic Mass: 285.10010796Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 360
- 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: 3.4
- Topological Polar Surface Area: 72.1?2
BENZENEACETIC ACID, 2-METHYL-5-NITRO-, PHENYLMETHYL ESTER Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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