Cas no 114882-46-1 (Benzo[a]pyrene,1-nitroso- (9CI))
![Benzo[a]pyrene,1-nitroso- (9CI) structure](https://ossimg.kuujia.com/scimg/115000/114882-46-1x500.png)
114882-46-1 structure
Product Name:Benzo[a]pyrene,1-nitroso- (9CI)
CAS No:114882-46-1
MF:C20H11NO
MW:281.307444810867
CID:233082
PubChem ID:150608
Update Time:2025-04-19
Benzo[a]pyrene,1-nitroso- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene,1-nitroso- (9CI)
- 1-nitrosobenzo[a]pyrene
- 1-Nitrosobenzo[pqr]tetraphene
- benzo[a]pyrene, 1-nitroso-
- 60W4KYO65N
- CCRIS 2859
- 114882-46-1
- 1-Nitrosobenzo(a)pyrene
- DTXSID80150890
- Q27894305
- Benzo(a)pyrene, 1-nitroso-
- UNII-60W4KYO65N
-
- Inchi： 1S/C20H11NO/c22-21-18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11H
- InChI Key： WIAULBKJEJHCOJ-UHFFFAOYSA-N
- SMILES： O=NC1=CC=C2C=CC3=CC4C=CC=CC=4C4=CC=C1C2=C43
Computed Properties
- Exact Mass: 281.08413
- Monoisotopic Mass: 281.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 449
- 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: 5.7
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Benzo[a]pyrene,1-nitroso- (9CI) Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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