Cas no 104102-98-9 (Benzene, 4-methyl-1-nitro-2-(phenylmethoxy)-)
104102-98-9 structure
Product Name:Benzene, 4-methyl-1-nitro-2-(phenylmethoxy)-
CAS No:104102-98-9
MF:C14H13NO3
MW:243.257923841476
CID:1141067
PubChem ID:13629304
Update Time:2025-04-20
Benzene, 4-methyl-1-nitro-2-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-methyl-1-nitro-2-(phenylmethoxy)-
- 1-nitro-2-benzyloxy-4-methyl-benzene
- SCHEMBL10409122
- FZNZPJALPPEJTJ-UHFFFAOYSA-N
- 2-(BENZYLOXY)-4-METHYL-1-NITROBENZENE
- DB-127293
- 3-benzyloxy-4-nitrotoluene
- N11769
- 104102-98-9
-
- Inchi： 1S/C14H13NO3/c1-11-7-8-13(15(16)17)14(9-11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
- InChI Key： FZNZPJALPPEJTJ-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C=C(C)C=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 243.08954328g/mol
- Monoisotopic Mass: 243.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 271
- 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: 3.6
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 55.05000
- LogP: 4.00540
Benzene, 4-methyl-1-nitro-2-(phenylmethoxy)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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