Cas no 117321-84-3 (Methanone, (2-methyl-3-nitrophenyl)-1-naphthalenyl-)
117321-84-3 structure
Product Name:Methanone, (2-methyl-3-nitrophenyl)-1-naphthalenyl-
CAS No:117321-84-3
MF:C18H13NO3
MW:291.300724744797
CID:1206774
PubChem ID:14535917
Update Time:2025-04-20
Methanone, (2-methyl-3-nitrophenyl)-1-naphthalenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2-methyl-3-nitrophenyl)-1-naphthalenyl-
- (2-methyl-3-nitrophenyl)-naphthalen-1-ylmethanone
- 117321-84-3
- 2-methyl-3(1-naphthylcarbonyl)nitrobenzene
- SCHEMBL9641348
- (2-Methyl-3-nitrophenyl)(naphthalen-1-yl)methanone
- AKOS025127850
- DTXSID70561411
- 2-methyl-3-(1-naphthylcarbonyl)nitrobenzene
- PHEQYKQFVHUONK-UHFFFAOYSA-N
- (2-methyl-3-nitrophenyl)(1-naphthyl)methanone
-
- Inchi： 1S/C18H13NO3/c1-12-14(9-5-11-17(12)19(21)22)18(20)16-10-4-7-13-6-2-3-8-15(13)16/h2-11H,1H3
- InChI Key： PHEQYKQFVHUONK-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C=1C)[N+](=O)[O-])C1=CC=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 291.08959
- Monoisotopic Mass: 291.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 431
- 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: 4.7
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- PSA: 60.21
Methanone, (2-methyl-3-nitrophenyl)-1-naphthalenyl- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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