Cas no 7497-44-1 (Butanedinitrile,2-(4-chlorophenyl)-3-phenyl-)
7497-44-1 structure
Product Name:Butanedinitrile,2-(4-chlorophenyl)-3-phenyl-
CAS No:7497-44-1
MF:C16H11ClN2
MW:266.724942445755
CID:577913
PubChem ID:346841
Update Time:2025-04-19
Butanedinitrile,2-(4-chlorophenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanedinitrile,2-(4-chlorophenyl)-3-phenyl-
- 2-(4-chlorophenyl)-3-phenylbutanedinitrile
- (+-)-erythro-2-(4-chloro-phenyl)-3-phenyl-succinonitrile
- (+-)-erythro-2-(4-Chlor-phenyl)-3-phenyl-succinonitril
- (+-)-erythro-3-Phenyl-2-(4-chlor-phenyl)-bernsteinsaeure-dinitril
- (+-)-erythro-3-Phenyl-2-< 4-chlor-phenyl> -succinonitril
- AC1L85WP
- NSC405172
- NSC-405172
- DTXSID50323918
- 7497-44-1
-
- Inchi： 1S/C16H11ClN2/c17-14-8-6-13(7-9-14)16(11-19)15(10-18)12-4-2-1-3-5-12/h1-9,15-16H
- InChI Key： SFLZVFHERLBKMO-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(C#N)C(C#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 266.06123
- Monoisotopic Mass: 266.0610761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 374
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
- LogP: 4.25456
Butanedinitrile,2-(4-chlorophenyl)-3-phenyl- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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