TJB

2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde

Created:	2020-12-22
Last modified:	2024-09-27

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1 entries where TJB is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	17

2D diagram of TJB

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Chemical Component Summary
Name	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Synonyms	LvD1017
Systematic Name (OpenEye OEToolkits)	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula	C₁₆ H₁₁ Cl N₂ O
Molecular Weight	282.724
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cc(ccc1C=O)n2ccnc2c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O
Canonical SMILES	CACTVS	3.385	Clc1cc(ccc1C=O)n2ccnc2c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2nccn2c3ccc(c(c3)Cl)C=O
InChI	InChI	1.03	InChI=1S/C16H11ClN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
InChIKey	InChI	1.03	ZMPWFMLHEAZXIS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156022766

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