Cas no 538316-04-0 (Benzene, 1-methoxy-3-(methoxymethyl)-2-nitro- (9CI))
538316-04-0 structure
Product Name:Benzene, 1-methoxy-3-(methoxymethyl)-2-nitro- (9CI)
CAS No:538316-04-0
MF:C9H11NO4
MW:197.187942743301
CID:1022762
PubChem ID:45091620
Update Time:2025-04-20
Benzene, 1-methoxy-3-(methoxymethyl)-2-nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methoxy-3-(methoxymethyl)-2-nitro- (9CI)
- 1-methoxy-3-(methoxymethyl)-2-nitrobenzene
- DTXSID30666875
- DB-273911
- BENZENE, 1-METHOXY-3-(METHOXYMETHYL)-2-NITRO-
- 538316-04-0
-
- Inchi： 1S/C9H11NO4/c1-13-6-7-4-3-5-8(14-2)9(7)10(11)12/h3-5H,6H2,1-2H3
- InChI Key： PLZLYJZRLSPOOM-UHFFFAOYSA-N
- SMILES： O(C)CC1C=CC=C(C=1[N+](=O)[O-])OC
Computed Properties
- Exact Mass: 197.06880783g/mol
- Monoisotopic Mass: 197.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- 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: 1.4
- Topological Polar Surface Area: 64.3?2
Benzene, 1-methoxy-3-(methoxymethyl)-2-nitro- (9CI) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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