Compound C19H18ClIN4O3

6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one iodide

CAS: 100037-07-8

Molecular Formula	`C19H18ClIN4O3`
Molecular Weight	512.7 g/mol
Topological Polar Surface Area	87.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	512.0112
Heavy Atoms	28
Complexity	606.0

Chemical Identifiers

CAS Number	100037-07-8
SMILES	`C1CN=C([NH2+]1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O.[I-]`
InChIKey	`BRPYBKGMBVXUQE-UHFFFAOYSA-N`

📖 Product Overview

Compound C19H18ClIN4O3 (CAS: 100037-07-8) is a chemical compound with molecular formula C19H18ClIN4O3 and molecular weight 512.7 g/mol. Its IUPAC systematic name is 6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one iodide. Topological Polar Surface Area 87.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 512.0112 Heavy Atoms 28 Complexity 606.0 InChI Key: BRPYBKGMBVXUQE-UHFFFAOYSA-N. SMILES: C1CN=C([NH2+]1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O.[I-].

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