Cas no 84196-20-3 (Benzeneacetonitrile,4-amino-2-chloro-a-(4-chlorophenyl)-5-(1-methylethyl)-)
84196-20-3 structure
Product Name:Benzeneacetonitrile,4-amino-2-chloro-a-(4-chlorophenyl)-5-(1-methylethyl)-
CAS No:84196-20-3
MF:C17H16Cl2N2
MW:319.228342056274
CID:729537
PubChem ID:3019760
Update Time:2025-04-19
Benzeneacetonitrile,4-amino-2-chloro-a-(4-chlorophenyl)-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,4-amino-2-chloro-a-(4-chlorophenyl)-5-(1-methylethyl)-
- (4-amino-2-chloro-5-isopropylphenyl)(4-chlorophenyl)acetonitrile
- 2-(4-amino-2-chloro-5-propan-2-ylphenyl)-2-(4-chlorophenyl)acetonitrile
- NS00058976
- DTXSID001004459
- EINECS 282-430-0
- 84196-20-3
- SCHEMBL11766088
- [4-Amino-2-chloro-5-(propan-2-yl)phenyl](4-chlorophenyl)acetonitrile
-
- Inchi： 1S/C17H16Cl2N2/c1-10(2)13-7-14(16(19)8-17(13)21)15(9-20)11-3-5-12(18)6-4-11/h3-8,10,15H,21H2,1-2H3
- InChI Key： KRPCKIYOWMLSKB-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1C(C#N)C1C=CC(=CC=1)Cl)C(C)C)N
Computed Properties
- Exact Mass: 318.0690539g/mol
- Monoisotopic Mass: 318.0690539g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 382
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 49.8?2
Benzeneacetonitrile,4-amino-2-chloro-a-(4-chlorophenyl)-5-(1-methylethyl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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