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CAS No.: | 22065-57-2 |
---|---|
Name: | Ethyl diazophenylacetate |
Article Data: | 77 |
Molecular Structure: | |
Formula: | C10H10N2O2 |
Molecular Weight: | 190.202 |
Synonyms: | Aceticacid, diazophenyl-, ethyl ester (8CI);Ethyl 2-diazo-2-phenylacetate;Ethyldiazophenylacetate;Ethyl phenyldiazoacetic acid;Ethyl a-diazophenylacetate; |
PSA: | 63.69000 |
LogP: | 1.34966 |
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The Ethyl diazophenylacetate, with the CAS registry number 22065-57-2, is also called benzeneacetic acid, α-diazo-, ethyl ester. And the molecular formula of the chemical is C10H10N2O2.
The characteristics of Ethyl diazophenylacetate are as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 89; (8)ACD/KOC (pH 7.4): 89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)\C(=[N+]=[N-])c1ccccc1
(2)InChI: InChI=1/C10H10N2O2/c1-2-14-10(13)9(12-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
(3)InChIKey: DYCIOVIEGYZBJP-UHFFFAOYAX