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903130-30-3

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Basic Information
CAS No.: 903130-30-3
Name: 7-(TERT-BUTOXYCARBONYL)-3-CHLORO-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 903130-30-3 (7-(TERT-BUTOXYCARBONYL)-3-CHLORO-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLIC ACID)
Formula: C12H16ClN3O4
Molecular Weight: 301.73
Synonyms: 7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid;7-Boc-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid;
Density: 1.46 g/cm3
Boiling Point: 519.2 °C at 760 mmHg
Flash Point: 267.8 °C
PSA: 84.66000
LogP: 1.92330
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Specification

The CAS register number of 7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid is 903130-30-3. It also can be called as Imidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylicacid, 3-chloro-5,6-dihydro-, 7-(1,1-dimethylethyl) ester and the IUPAC name about this chemical is 3-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid. The molecular formula about this chemical is C12H16ClN3O4 and molecular weight is 301.73. It belongs to the Chiral Chemicals.

Physical properties about 7-(tert-Butoxycarbonyl)-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 7; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 84.66Å2; (9)Index of Refraction: 1.62; (10)Molar Refractivity: 72.23 cm3; (11)Molar Volume: 205.5 cm3; (12)Polarizability: 28.63x10-24cm3; (13)Surface Tension: 52.5 dyne/cm; (14)Enthalpy of Vaporization: 83.36 kJ/mol; (15)Boiling Point: 519.2 °C at 760 mmHg; (16)Vapour Pressure: 1.32E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1nc2CN(CCn2c1Cl)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C12H16ClN3O4/c1-12(2,3)20-11(19)15-4-5-16-7(6-15)14-8(9(16)13)10(17)18/h4-6H2,1-3H3,(H,17,18)
(3)InChIKey: DKAJUVQRVUHWJW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H16ClN3O4/c1-12(2,3)20-11(19)15-4-5-16-7(6-15)14-8(9(16)13)10(17)18/h4-6H2,1-3H3,(H,17,18)
(5)Std. InChIKey: DKAJUVQRVUHWJW-UHFFFAOYSA-N