Cas no 136322-11-7 (Benzoic acid, 3-nitro-, phenylmethyl ester)
136322-11-7 structure
Product Name:Benzoic acid, 3-nitro-, phenylmethyl ester
CAS No:136322-11-7
MF:C14H11NO4
MW:257.241443872452
CID:1239976
PubChem ID:957455
Update Time:2025-04-20
Benzoic acid, 3-nitro-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-nitro-, phenylmethyl ester
- 3-nitrobenzoic acid benzyl ester
- benzyl 3-nitrobenzoate
- DA-11354
- AKOS003442194
- 136322-11-7
- benzyl m-nitrobenzoate
- QXYKESHEGVTGLH-UHFFFAOYSA-N
- SCHEMBL2825416
-
- Inchi： 1S/C14H11NO4/c16-14(19-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(17)18/h1-9H,10H2
- InChI Key： QXYKESHEGVTGLH-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1)[N+](=O)[O-])=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 257.06880783g/mol
- Monoisotopic Mass: 257.06880783g/mol
- 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: 3.8
- Topological Polar Surface Area: 72.1?2
Benzoic acid, 3-nitro-, phenylmethyl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
136322-11-7 (Benzoic acid, 3-nitro-, phenylmethyl ester) Related Products
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- 13290-96-5(Dimethyl 5-nitroisophthalate)
- 619-50-1(Methyl 4-nitrobenzoate)
- 1955-46-0(Methyl 5-Nitroisophthalate)
- 610-22-0(1,2-Dimethyl 4-nitrophthalate)
- 618-95-1(Methyl 3-nitrobenzoate)
- 99-77-4(ethyl-P-nitrobenzoate)
- 30650-90-9(Ethyl 3-methyl-4-nitrobenzoate)
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