A1ABH

(2S)-2-(2-chloro-6-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one

Created:	2024-01-04
Last modified:	2024-01-24

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1 entries where A1ABH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	12

2D diagram of A1ABH

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Chemical Component Summary
Name	(2S)-2-(2-chloro-6-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(2-chloranyl-6-fluoranyl-phenyl)-2,3-dihydro-1~{H}-quinazolin-4-one
Formula	C₁₄ H₁₀ Cl F N₂ O
Molecular Weight	276.693
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(Cl)c1C1Nc2ccccc2C(=O)N1
SMILES	CACTVS	3.385	Fc1cccc(Cl)c1[CH]2NC(=O)c3ccccc3N2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)NC(N2)c3c(cccc3Cl)F
Canonical SMILES	CACTVS	3.385	Fc1cccc(Cl)c1[C@@H]2NC(=O)c3ccccc3N2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C(=O)N[C@H](N2)c3c(cccc3Cl)F
InChI	InChI	1.06	InChI=1S/C14H10ClFN2O/c15-9-5-3-6-10(16)12(9)13-17-11-7-2-1-4-8(11)14(19)18-13/h1-7,13,17H,(H,18,19)/t13-/m0/s1
InChIKey	InChI	1.06	DUZLGCVFNSELGL-ZDUSSCGKSA-N

Related Resource References

Resource Name	Reference
PubChem	6925285

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