Compound C17H16ClN3O

7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine

CAS: 3693-14-9

Molecular Formula	`C17H16ClN3O`
Molecular Weight	313.8 g/mol
LogP	2.6
Topological Polar Surface Area	44.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	313.09818
Heavy Atoms	22
Complexity	469.0

Chemical Identifiers

CAS Number	3693-14-9
SMILES	`CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3`
InChIKey	`DQZUAVXXQQOPOW-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H16ClN3O (CAS: 3693-14-9) is a chemical compound with molecular formula C17H16ClN3O and molecular weight 313.8 g/mol. Its IUPAC systematic name is 7-chloro-N,N-dimethyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine. LogP 2.6 Topological Polar Surface Area 44.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 313.09818 Heavy Atoms 22 Complexity 469.0 InChI Key: DQZUAVXXQQOPOW-UHFFFAOYSA-N. SMILES: CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3.

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