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

CAS: 100037-08-9

Molecular Formula	`C19H18IN5O5`
Molecular Weight	523.3 g/mol
Topological Polar Surface Area	133.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	523.0353
Heavy Atoms	30
Complexity	685.0

Chemical Identifiers

CAS Number	100037-08-9
SMILES	`C1CN=C([NH2+]1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O.[I-]`
InChIKey	`WZYUIXDPKJTTMP-UHFFFAOYSA-N`

📖 Product Overview

3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one iodide (CAS: 100037-08-9) is a chemical compound with molecular formula C19H18IN5O5 and molecular weight 523.3 g/mol. Its IUPAC systematic name is 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one iodide. Topological Polar Surface Area 133.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 523.0353 Heavy Atoms 30 Complexity 685.0 InChI Key: WZYUIXDPKJTTMP-UHFFFAOYSA-N. SMILES: C1CN=C([NH2+]1)NC2=CC=C(C=C2)C(=O)CCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O.[I-].

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one iodide.

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