Cas no 15442-77-0 (Benzoic acid,3,4-dichloro-, nickel(2+) salt (2:1))
15442-77-0 structure
Product Name:Benzoic acid,3,4-dichloro-, nickel(2+) salt (2:1)
CAS No:15442-77-0
MF:C14H6Cl4NiO4
MW:438.700441837311
CID:141143
PubChem ID:203885
Update Time:2025-04-19
Benzoic acid,3,4-dichloro-, nickel(2+) salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,4-dichloro-, nickel(2+) salt (2:1)
- Bis(3,4-dichlorobenzoic acid)nickel(II) salt
- Benzoic acid, 3,4-dichloro-, nickel(2+) salt
- NSC 408666
- Nickel, bis(3,4-dichlorobenzoato)-
- 15442-77-0
- 3,4-dichlorobenzoate;nickel(2+)
- Bis(3,4-dichlorobenzoato)nickel
- Benzoic acid, 3,4-dichloro-, nickel(II) salt
-
- Inchi： 1S/2C7H4Cl2O2.Ni/c2*8-5-2-1-4(7(10)11)3-6(5)9;/h2*1-3H,(H,10,11);/q;;+2/p-2
- InChI Key： IFYJFYNTDJLOGB-UHFFFAOYSA-L
- SMILES： [Ni+2].ClC1=C(C=CC(C(=O)[O-])=C1)Cl.ClC1=C(C=CC(C(=O)[O-])=C1)Cl
Computed Properties
- Exact Mass: 435.83748
- Monoisotopic Mass: 435.837361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 155
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3?2
Experimental Properties
- PSA: 80.26
Benzoic acid,3,4-dichloro-, nickel(2+) salt (2:1) Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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