Cas no 26698-23-7 (4-Phenanthrenecarboxylicacid, 10-bromo-, methyl ester)
26698-23-7 structure
Product Name:4-Phenanthrenecarboxylicacid, 10-bromo-, methyl ester
CAS No:26698-23-7
MF:C16H11BrO2
MW:315.161343812943
CID:287254
PubChem ID:289722
Update Time:2025-04-19
4-Phenanthrenecarboxylicacid, 10-bromo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Phenanthrenecarboxylicacid, 10-bromo-, methyl ester
- methyl 10-bromophenanthrene-4-carboxylate
- AC1L6CBY
- AC1Q5ZO7
- AG-J-70277
- AR-1J4268
- CTK4F8362
- NSC151926
- NSC-151926
- QAAWHGLORDSRCA-UHFFFAOYSA-N
- 26698-23-7
- DTXSID60302572
- Methyl 10-bromo-4-phenanthrenecarboxylate #
-
- Inchi： 1S/C16H11BrO2/c1-19-16(18)13-8-4-7-12-14(17)9-10-5-2-3-6-11(10)15(12)13/h2-9H,1H3
- InChI Key： QAAWHGLORDSRCA-UHFFFAOYSA-N
- SMILES： BrC1=CC2C=CC=CC=2C2=C(C(=O)OC)C=CC=C21
Computed Properties
- Exact Mass: 313.99423
- Monoisotopic Mass: 313.994
- 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
- Density: 1.488
- Boiling Point: 452.4°Cat760mmHg
- Flash Point: 227.4°C
- Refractive Index: 1.695
- PSA: 26.3
- LogP: 4.54210
4-Phenanthrenecarboxylicacid, 10-bromo-, methyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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