Cas no 53218-06-7 ((4-Bromophenyl)methyl 4-nitrobenzoate)
53218-06-7 structure
Product Name:(4-Bromophenyl)methyl 4-nitrobenzoate
CAS No:53218-06-7
MF:C14H10BrNO4
MW:336.137503147125
CID:2187376
Update Time:2023-08-05
(4-Bromophenyl)methyl 4-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- 4-Nitrobenzoic acid 4-bromobenzyl ester
- 4-bromobenzyl 4-nitrobenzoate
- (4-bromophenyl)methyl 4-nitrobenzoate
- ST45070457
- (4-Bromophenyl)methyl 4-nitrobenzoate
-
- Inchi： 1S/C14H10BrNO4/c15-12-5-1-10(2-6-12)9-20-14(17)11-3-7-13(8-4-11)16(18)19/h1-8H,9H2
- InChI Key： AHKHWSYPMKYMGL-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)COC(C1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 342
- XLogP3: 4.5
- Topological Polar Surface Area: 72.1
(4-Bromophenyl)methyl 4-nitrobenzoate Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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