Cas no 23973-65-1 (Phosphonic acid, [(2-cyanophenyl)methyl]-, diethyl ester)
![Phosphonic acid, [(2-cyanophenyl)methyl]-, diethyl ester structure](https://ossimg.kuujia.com/scimg/24000/23973-65-1x500.png)
23973-65-1 structure
Product Name:Phosphonic acid, [(2-cyanophenyl)methyl]-, diethyl ester
CAS No:23973-65-1
MF:C12H16NO3P
MW:253.234104156494
CID:238620
PubChem ID:13591598
Update Time:2025-04-19
Phosphonic acid, [(2-cyanophenyl)methyl]-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Phosphonic acid, [(2-cyanophenyl)methyl]-, diethyl ester
- 2-(diethylphosphonomethyl)benzonitrile
- 2-Cyan-benzylphosphonsaeure-diaethylester
- 2-cyano-benzylphosphonic acid diethyl ester
- 2-diethylphosphonomethylbenzonitrile
- AG-E-70623
- AGN-PC-00N7DP
- CTK0J5318
- diethyl (2-cyanobenzyl)phosphonate
- diethyl (2-cyanophenyl)methylphosphonate
- diethyl 2-cyanobenzylphosphonate
- SCHEMBL8611627
- 23973-65-1
- MFCD27947889
- 2-(diethoxyphosphorylmethyl)benzonitrile
- diethyl o-cyanobenzyl-phosphonate
- DTXSID00544550
- Diethyl [(2-cyanophenyl)methyl]phosphonate
- SY309676
-
- Inchi： 1S/C12H16NO3P/c1-3-15-17(14,16-4-2)10-12-8-6-5-7-11(12)9-13/h5-8H,3-4,10H2,1-2H3
- InChI Key： YDFXKRLGZYFXOE-UHFFFAOYSA-N
- SMILES： P(CC1C=CC=CC=1C#N)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 253.08688
- Monoisotopic Mass: 253.08678037g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 313
- 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: 1.4
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- PSA: 59.32
Phosphonic acid, [(2-cyanophenyl)methyl]-, diethyl ester Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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