Cas no 697304-05-5 (Benzenemethanol, 4-ethoxy-3-nitro- (9CI))
697304-05-5 structure
Product Name:Benzenemethanol, 4-ethoxy-3-nitro- (9CI)
CAS No:697304-05-5
MF:C9H11NO4
MW:197.187942743301
CID:1022909
PubChem ID:28963812
Update Time:2025-04-20
Benzenemethanol, 4-ethoxy-3-nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 4-ethoxy-3-nitro- (9CI)
- (4-ethoxy-3-nitrophenyl)methanol
- 697304-05-5
- DTXSID20651851
- 4-ethoxy-3-nitrobenzylalcohol
- NLWURSVNDKOTMG-UHFFFAOYSA-N
- SCHEMBL5913597
- BENZENEMETHANOL, 4-ETHOXY-3-NITRO-
- DB-285439
-
- Inchi： 1S/C9H11NO4/c1-2-14-9-4-3-7(6-11)5-8(9)10(12)13/h3-5,11H,2,6H2,1H3
- InChI Key： NLWURSVNDKOTMG-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(CO)=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 197.06880783g/mol
- Monoisotopic Mass: 197.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 192
- 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: 1.2
- Topological Polar Surface Area: 75.3?2
Benzenemethanol, 4-ethoxy-3-nitro- (9CI) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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