Cas no 106316-09-0 (Benzoic acid, 3-chloro-4-(dodecyloxy)-)
106316-09-0 structure
Product Name:Benzoic acid, 3-chloro-4-(dodecyloxy)-
CAS No:106316-09-0
MF:C19H29ClO3
MW:340.884765386581
CID:1175517
PubChem ID:19739175
Update Time:2025-04-20
Benzoic acid, 3-chloro-4-(dodecyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-chloro-4-(dodecyloxy)-
- 3-chloro-4-dodecoxybenzoic acid
- 3-CHLORO-4-(DODECYLOXY)BENZOIC ACID
- 106316-09-0
- 4-dodecyloxy-3-chlorobenzoic acid
- SHYYATVSTYDTKT-UHFFFAOYSA-N
- 4-n-dodecyloxy-3-chlorobenzoic acid
- SCHEMBL9626608
- 3-chloro-4-dodecyloxybenzoic acid
- DTXSID60599465
-
- Inchi： 1S/C19H29ClO3/c1-2-3-4-5-6-7-8-9-10-11-14-23-18-13-12-16(19(21)22)15-17(18)20/h12-13,15H,2-11,14H2,1H3,(H,21,22)
- InChI Key： SHYYATVSTYDTKT-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=O)O)C=CC=1OCCCCCCCCCCCC
Computed Properties
- Exact Mass: 340.1805225g/mol
- Monoisotopic Mass: 340.1805225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 309
- 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: 7.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: 6.33790
Benzoic acid, 3-chloro-4-(dodecyloxy)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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