Cas no 143265-28-5 (Benzo[a]pyrene-6-carbonitrile,1-nitro- (9CI))
![Benzo[a]pyrene-6-carbonitrile,1-nitro- (9CI) structure](https://ossimg.kuujia.com/scimg/143500/143265-28-5x500.png)
143265-28-5 structure
Product Name:Benzo[a]pyrene-6-carbonitrile,1-nitro- (9CI)
CAS No:143265-28-5
MF:C21H10N2O2
MW:322.316304683685
CID:228118
PubChem ID:197323
Update Time:2025-04-19
Benzo[a]pyrene-6-carbonitrile,1-nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene-6-carbonitrile,1-nitro- (9CI)
- 1-nitrobenzo[a]pyrene-6-carbonitrile
- Benzo(a)pyrene-6-carbonitrile, 1-nitro-
- 143265-28-5
- 1-Nitrobenzo(a)pyrene-6-carbonitrile
- 1-Nitro-6-cyanobenzo(a)pyrene
- DTXSID20162371
-
- Inchi： 1S/C21H10N2O2/c22-11-18-14-4-2-1-3-13(14)15-8-9-17-19(23(24)25)10-6-12-5-7-16(18)21(15)20(12)17/h1-10H
- InChI Key： AFVIQARXBLENRL-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=C2C=CC3=C(C#N)C4C=CC=CC=4C4=CC=C1C2=C43)=O
Computed Properties
- Exact Mass: 322.0743
- Monoisotopic Mass: 322.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 605
- 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
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 66.93
Benzo[a]pyrene-6-carbonitrile,1-nitro- (9CI) Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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