Cas no 23185-22-0 (Carbanilic acid,o-nitro-, p-nitrobenzyl ester (8CI))
23185-22-0 structure
Product Name:Carbanilic acid,o-nitro-, p-nitrobenzyl ester (8CI)
CAS No:23185-22-0
MF:C14H11N3O6
MW:317.253643274307
CID:269779
PubChem ID:298754
Update Time:2025-04-19
Carbanilic acid,o-nitro-, p-nitrobenzyl ester (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbanilic acid,o-nitro-, p-nitrobenzyl ester (8CI)
- (4-nitrophenyl)methyl N-(2-nitrophenyl)carbamate
- 4-nitrobenzyl (2-nitrophenyl)carbamate
- AC1L6TLH
- NSC171069
- p-Nitro-benzyl-N-(o-nitro-phenyl)-carbamat
- 23185-22-0
- NSC-171069
- DTXSID10305553
-
- Inchi： 1S/C14H11N3O6/c18-14(15-12-3-1-2-4-13(12)17(21)22)23-9-10-5-7-11(8-6-10)16(19)20/h1-8H,9H2,(H,15,18)
- InChI Key： WSPQYIQSJIGXTG-UHFFFAOYSA-N
- SMILES： O(C(NC1C=CC=CC=1[N+](=O)[O-])=O)CC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 317.06483
- Monoisotopic Mass: 317.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 439
- 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: 3.4
- Topological Polar Surface Area: 130?2
Experimental Properties
- Density: 1.487
- Boiling Point: 476.5°Cat760mmHg
- Flash Point: 242°C
- Refractive Index: 1.671
- PSA: 124.61
- LogP: 4.37110
Carbanilic acid,o-nitro-, p-nitrobenzyl ester (8CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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