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758692-47-6

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Basic Information
CAS No.: 758692-47-6
Name: Ethyl 2-(4-bromophenyl)-2-diazoacetate
Article Data: 41
Molecular Structure:
Molecular Structure of 758692-47-6 (Ethyl 2-(4-bromophenyl)-2-diazoacetate)
Formula: C10H9BrN2O2
Molecular Weight: 269.098
Synonyms: Ethyl2-(4-bromophenyl)-2-diazoacetate;
Melting Point: 54 °C
PSA: 63.69000
LogP: 2.11216
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Specification

The Ethyl 2-(4-bromophenyl)-2-diazoacetate, with cas registry number 758692-47-6, has the systematic name of benzeneacetic acid, 4-bromo-α-diazo-, ethyl ester. And it is also called Ethyl (4-bromophenyl)(diazo)acetate.

Physical properties about this chemical are:  (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.31; (6)ACD/BCF (pH 7.4): 19.31; (7)ACD/KOC (pH 5.5): 289.76; (8)ACD/KOC (pH 7.4): 289.76; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C(=[N+]=[N-])c1ccc(cc1)Br
(2)InChI: InChI=1/C10H9BrN2O2/c1-2-15-10(14)9(13-12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
(3)InChIKey: XWVFDRBGXZRGAE-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9(13-12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
(5)Std. InChIKey: XWVFDRBGXZRGAE-UHFFFAOYSA-N