Cas no 90656-45-4 ( )
structure
Product Name:
CAS No:90656-45-4
MF:C13H9Cl2NO2
MW:282.122061491013
CID:995011
PubChem ID:292746
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-2-(4-chloroanilino)benzoic acid
- HPHVQTWDTOJVKU-UHFFFAOYSA-N
- 90656-45-4
- NSC-158696
- DTXSID90303517
- 4-chloro-2-[(4-chlorophenyl)amino]benzoic acid
- 4-Chloro-2-(4-chloroanilino)benzoic acid #
- 4',5-Dichlorodiphenylamine-2-carboxylic acid
- NSC158696
-
-
- Inchi: 1S/C13H9Cl2NO2/c14-8-1-4-10(5-2-8)16-12-7-9(15)3-6-11(12)13(17)18/h1-7,16H,(H,17,18)
- InChI Key: HPHVQTWDTOJVKU-UHFFFAOYSA-N
- SMILES: ClC1C=CC(C(=O)O)=C(C=1)NC1C=CC(=CC=1)Cl
Computed Properties
- Exact Mass: 281.0010339g/mol
- Monoisotopic Mass: 281.0010339g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 293
- 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: 6.2
- Topological Polar Surface Area: 49.3?2
Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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