Formula |
C20H21BrClN7O2 |
IUPAC Name |
n-[2-(5-amino-7-bromo-4-chloro-benzotriazol-2-yl)-5-[2-cyanoethyl(ethyl)amino]-4-methoxy-phenyl]acetamide |
Molecular Mass |
506.783 g·mol−1 |
Heat of Formation |
193.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.81 ± 1.08 D |
Volume |
521.06 Å 3 |
Surface Area |
451.21 Å 2 |
HOMO Energy |
-8.21 ± 0.55 eV |
LUMO Energy |
-1.48 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-(2-(acetylamino)-4-(n-(2-cyanoethyl)ethylamino)-5-methoxyphenyl)-5-amino-7-bromo-4-chloro-2h-benzotriazole
- n-[2-(5-amino-7-bromo-4-chloro-2-benzotriazolyl)-5-(2-cyanoethyl-ethylamino)-4-methoxyphenyl]acetamide
- n-[2-(5-amino-7-bromo-4-chloro-benzotriazol-2-yl)-5-(2-cyanoethyl-ethyl-amino)-4-methoxy-phenyl]ethanamide
- pbta 2
- pbta 2 (pollutant)
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CAS Number(s) |
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InChIKey |
CVBXOARNTJWWLQ-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
Br
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