Cas no 835595-05-6 (Benzoic acid, 3-(5-chloro-2-benzofuranyl)-)
835595-05-6 structure
Product Name:Benzoic acid, 3-(5-chloro-2-benzofuranyl)-
CAS No:835595-05-6
MF:C15H9ClO3
MW:272.683163404465
CID:669682
PubChem ID:11300256
Update Time:2025-04-19
Benzoic acid, 3-(5-chloro-2-benzofuranyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(5-chloro-2-benzofuranyl)-
- 3-(5-chloro-1-benzofuran-2-yl)benzoic acid
- 3-(5-chloro-2-benzofuranyl)Benzoic acid
- FT-0738100
- SCHEMBL5786569
- DTXSID10461709
- 835595-05-6
- 3-(5-chlorobenzofuran-2-yl)benzoic Acid
- QZCBSSATEMKGBQ-UHFFFAOYSA-N
-
- Inchi: 1S/C15H9ClO3/c16-12-4-5-13-11(7-12)8-14(19-13)9-2-1-3-10(6-9)15(17)18/h1-8H,(H,17,18)
- InChI Key: QZCBSSATEMKGBQ-UHFFFAOYSA-N
- SMILES: ClC1C=CC2=C(C=1)C=C(C1C=CC=C(C(=O)O)C=1)O2
Computed Properties
- Exact Mass: 272.0240218g/mol
- Monoisotopic Mass: 272.0240218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 346
- 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: 4.1
- Topological Polar Surface Area: 50.4?2
Benzoic acid, 3-(5-chloro-2-benzofuranyl)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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