Cas no 7473-73-6 (1-Phenanthrenecarboxylicacid, 9-bromo-, methyl ester)
7473-73-6 structure
Product Name:1-Phenanthrenecarboxylicacid, 9-bromo-, methyl ester
CAS No:7473-73-6
MF:C16H11BrO2
MW:315.161343812943
CID:579259
PubChem ID:344028
Update Time:2025-04-19
1-Phenanthrenecarboxylicacid, 9-bromo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Phenanthrenecarboxylicacid, 9-bromo-, methyl ester
- methyl 9-bromophenanthrene-1-carboxylate
- AC1L7ZMW
- Methyl 9-bromo-1-phenanthrenecarboxylate
- NSC400691
- NSC-400691
- TURHFFSHWLAARG-UHFFFAOYSA-N
- DTXSID00322219
- 7473-73-6
- Methyl 9-bromo-1-phenanthrenecarboxylate #
-
- Inchi： 1S/C16H11BrO2/c1-19-16(18)13-8-4-7-11-10-5-2-3-6-12(10)15(17)9-14(11)13/h2-9H,1H3
- InChI Key： TURHFFSHWLAARG-UHFFFAOYSA-N
- SMILES： BrC1=CC2=C(C(=O)OC)C=CC=C2C2C=CC=CC=21
Computed Properties
- Exact Mass: 313.99423
- Monoisotopic Mass: 313.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 344
- 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: 5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 4.54210
1-Phenanthrenecarboxylicacid, 9-bromo-, methyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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