Cas no 918434-60-3 (Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester)
918434-60-3 structure
Product Name:Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester
CAS No:918434-60-3
MF:C16H13NO4
MW:283.278724431992
CID:775963
PubChem ID:71427168
Update Time:2025-04-19
Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester
- methyl 4-[(4-isocyanatophenoxy)methyl]benzoate
- SCHEMBL4886214
- DTXSID60845914
- 918434-60-3
-
- Inchi: 1S/C16H13NO4/c1-20-16(19)13-4-2-12(3-5-13)10-21-15-8-6-14(7-9-15)17-11-18/h2-9H,10H2,1H3
- InChI Key: VVAHBIAUKJKFCT-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)N=C=O)CC1C=CC(C(=O)OC)=CC=1
Computed Properties
- Exact Mass: 283.08445790g/mol
- Monoisotopic Mass: 283.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 376
- 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: 4
- Topological Polar Surface Area: 65?2
Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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