Cas no 62530-10-3 (Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-phenoxy-)
62530-10-3 structure
Product Name:Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-phenoxy-
CAS No:62530-10-3
MF:C13H9ClN2O6
MW:324.673362493515
CID:441418
PubChem ID:71385485
Update Time:2025-04-19
Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-phenoxy-
- 1-chloro-2-methoxy-3,5-dinitro-4-phenoxybenzene
- DTXSID60807714
- 62530-10-3
-
- Inchi： 1S/C13H9ClN2O6/c1-21-12-9(14)7-10(15(17)18)13(11(12)16(19)20)22-8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key： DWEVVMDXJLTAMP-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=C(C=1OC)[N+](=O)[O-])OC1C=CC=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 324.01497
- Monoisotopic Mass: 324.0149137g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 406
- 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: 3.7
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 104.74
Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-phenoxy- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
62530-10-3 (Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-phenoxy-) Related Products
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