Cas no 118745-15-6 (Benzo[a]pyrene,6-nitroso- (9CI))
![Benzo[a]pyrene,6-nitroso- (9CI) structure](https://ossimg.kuujia.com/scimg/119000/118745-15-6x500.png)
118745-15-6 structure
Product Name:Benzo[a]pyrene,6-nitroso- (9CI)
CAS No:118745-15-6
MF:C20H11NO
MW:281.307444810867
CID:182091
PubChem ID:119358
Update Time:2025-04-19
Benzo[a]pyrene,6-nitroso- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzo[a]pyrene,6-nitroso- (9CI)
- 6-nitrosobenzo(a)pyrene
- 6-nitrosobenzo[a]pyrene
- 6-nitrosobenzo[pqr]tetraphene
- AC1L3ONZ
- ACMC-1C36R
- Benzo(a)pyrene, 6-nitroso-
- CCRIS 2861
- CTK4B0886
- DTXSID70152227
- UNII-1HJS99HR9S
- 1HJS99HR9S
- 118745-15-6
- SCHEMBL7072802
-
- Inchi： 1S/C20H11NO/c22-21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H
- InChI Key： ICRDTHCKNWXAFG-UHFFFAOYSA-N
- SMILES： O=NC1C2C=CC=CC=2C2=CC=C3C=CC=C4C=CC=1C2=C34
Computed Properties
- Exact Mass: 281.08413
- Monoisotopic Mass: 281.084
- 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
- Density: 1.31
- Boiling Point: 523.8°Cat760mmHg
- Flash Point: 214.4°C
- Refractive Index: 1.735
- PSA: 29.43
Benzo[a]pyrene,6-nitroso- (9CI) Related Literature
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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