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Basic Information
CAS No.: 1150617-75-6
Name: 4-chloro-2-methylpyrrolo[1,2-f][1,2,4]triazine
Molecular Structure:
Molecular Structure of 1150617-75-6 (4-chloro-2-methylpyrrolo[1,2-f][1,2,4]triazine)
Formula: C7H6ClN3
Molecular Weight: 167.60
Synonyms: 4-Chloro-2-methylpyrrolo[1,2-f][1,2,4]triazine;
Density: 1.436 g/cm3
PSA: 30.19000
LogP: 1.69110
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Specification

The CAS register number of 4-Chloro-2-methylpyrrolo[1,2-f][1,2,4]triazine is 1150617-75-6. It also can be called as Pyrrolo[2,1-f][1,2,4]triazine,4-chloro-2-methyl- and the systematic name about this chemical is 4-chloro-2-methyl-pyrrolo[2,1-f][1,2,4]triazine. The molecular formula about this chemical is C7H6ClN3 and the molecular weight is 167.60.

Physical properties about 4-Chloro-2-methylpyrrolo[1,2-f][1,2,4]triazine are: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 1.631; (3)ACD/LogD (pH 7.4): 1.631; (4)ACD/BCF (pH 5.5): 10.215; (5)ACD/BCF (pH 7.4): 10.215; (6)ACD/KOC (pH 5.5): 183.662; (7)ACD/KOC (pH 7.4): 183.662; (8)#H bond acceptors: 3; (9)Polar Surface Area: 30.19Å2; (10)Index of Refraction: 1.681; (11)Molar Refractivity: 44.183 cm3; (12)Molar Volume: 116.746 cm3; (13)Polarizability: 17.515x10-24cm3; (14)Surface Tension: 49.711 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc(c2cccn2n1)Cl
(2)InChI: InChI=1/C7H6ClN3/c1-5-9-7(8)6-3-2-4-11(6)10-5/h2-4H,1H3
(3)InChIKey: NLWWTVQAGJTKNR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H6ClN3/c1-5-9-7(8)6-3-2-4-11(6)10-5/h2-4H,1H3
(5)Std. InChIKey: NLWWTVQAGJTKNR-UHFFFAOYSA-N