Cas no 110786-18-0 (Benzenemethanol,2-nitro-, 1-benzoate)
110786-18-0 structure
Product Name:Benzenemethanol,2-nitro-, 1-benzoate
CAS No:110786-18-0
MF:C14H11NO4
MW:257.241443872452
CID:154061
PubChem ID:135722
Update Time:2025-04-19
Benzenemethanol,2-nitro-, 1-benzoate Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,2-nitro-, 1-benzoate
- (2-nitrophenyl)methyl benzoate
- 2-NITROBENZYL BENZOATE
- benzenemethanol, 2-nitro-, benzoate (ester)
- CHEMBL498501
- o-Nitrobenzyl benzoate
- AKOS024383320
- 2-Nitrobenzenemethanol propionate
- BDBM50479173
- I88OOH313Y
- Q27280566
- o-Nitrobenzylbenzoate
- BENZENEMETHANOL, 2-NITRO-, 1-BENZOATE
- DTXSID90149391
- 110786-18-0
- CCRIS 7969
- 2-Nitrobenzenemethanol benzoate (ester)
- SCHEMBL4277060
- UNII-I88OOH313Y
-
- Inchi： 1S/C14H11NO4/c16-14(11-6-2-1-3-7-11)19-10-12-8-4-5-9-13(12)15(17)18/h1-9H,10H2
- InChI Key： IFNWVKHDWYPTRH-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CC1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 257.06883
- Monoisotopic Mass: 257.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 320
- 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: 3.1
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- Density: 1.287
- Boiling Point: 391.9°Cat760mmHg
- Flash Point: 170.6°C
- Refractive Index: 1.607
- PSA: 69.44
- LogP: 3.47500
Benzenemethanol,2-nitro-, 1-benzoate Related Literature
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Kazuhito Tanabe,Hiroyuki Nakata,Shin Mukai,Sei-ichi Nishimoto Org. Biomol. Chem. 2005 3 3893
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Kazuhito Tanabe,Hiroyuki Nakata,Shin Mukai,Sei-ichi Nishimoto Org. Biomol. Chem. 2005 3 3893
-
Peiran Wei,Bowen Li,Al de Leon,Emily Pentzer J. Mater. Chem. C 2017 5 5780
-
Feng Xie,Fengxia Yan,Mengmeng Chen,Min Zhang RSC Adv. 2014 4 29502
110786-18-0 (Benzenemethanol,2-nitro-, 1-benzoate) Related Products
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