Cas no 29595-25-3 (Phenol, 2-methyl-, dinitro deriv., ammonium salt)
29595-25-3 structure
Product Name:Phenol, 2-methyl-, dinitro deriv., ammonium salt
CAS No:29595-25-3
MF:C7H9N3O5
MW:215.163461446762
CID:288959
Update Time:2023-08-03
Phenol, 2-methyl-, dinitro deriv., ammonium salt Chemical and Physical Properties
Names and Identifiers
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- Phenol, 2-methyl-,dinitro deriv., ammonium salt (9CI)
- Ammonium o-cresolate, dinitro derivative
- Phenol, 2-methyl-, dinitro deriv., ammonium salt
- 4,6-Dinitro-o-cresol ammonium salt
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- Inchi： 1S/C7H6N2O5.H3N/c1-4-6(10)3-2-5(8(11)12)7(4)9(13)14;/h2-3,10H,1H3;1H3
- InChI Key： SKOHULULTFGDDK-UHFFFAOYSA-N
- SMILES： [O-]C1=CC=C(C(=C1C)[N+](=O)[O-])[N+](=O)[O-].[NH4+]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 245
- Topological Polar Surface Area: 116
Phenol, 2-methyl-, dinitro deriv., ammonium salt Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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