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CAS No.: | 80174-64-7 |
---|---|
Name: | N-DICHLOROACETYL-L-SERINE SODIUM SALT |
Molecular Structure: | |
Formula: | C5H6Cl2NNaO4 |
Molecular Weight: | 216.021 |
Synonyms: | DICHLOROACETYL-L-SERINE SODIUM SALT;N-DICHLOROACETYL-L-SERINE SODIUM SALT;Dichloroacetylserinesodiumsalt |
Density: | 1.628±0.06 g/cm3(Predicted) |
Melting Point: | 120-121 °C |
Boiling Point: | 477.4±45.0 °C(Predicted) |
PSA: | 92.95000 |
LogP: | 0.06460 |
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The L-Serine,N-(dichloroacetyl)- (9CI) is an organic compound with the formula C5H6Cl2NNaO4. The systematic name of this chemical is sodium (2S)-2-[(dichloroacetyl)amino]-3-hydroxypropanoate. With the CAS registry number 80174-64-7, it is also named as DL-Serine, N-dichloroacetyl-, sodium salt.
Physical properties about L-Serine,N-(dichloroacetyl)- (9CI) are: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 89.46 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C([O-])[C@@H](NC(=O)C(Cl)Cl)CO
(2)InChI: InChI=1/C5H7Cl2NO4.Na/c6-3(7)4(10)8-2(1-9)5(11)12;/h2-3,9H,1H2,(H,8,10)(H,11,12);/q;+1/p-1/t2-;/m0./s1
(3)InChIKey: RETAOVSRPQQHSS-CBXCQQQGBQ
(4)Std. InChI: InChI=1S/C5H7Cl2NO4.Na/c6-3(7)4(10)8-2(1-9)5(11)12;/h2-3,9H,1H2,(H,8,10)(H,11,12);/q;+1/p-1/t2-;/m0./s1
(5)Std. InChIKey: RETAOVSRPQQHSS-DKWTVANSSA-M