(1R,10S,11S)-11-azido-4-iodo-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one

CAS: 120826-42-8

Molecular Formula	`C9H8IN5O3`
Molecular Weight	361.1 g/mol
LogP	1.4
Topological Polar Surface Area	65.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	360.9672
Heavy Atoms	18
Complexity	512.0

Chemical Identifiers

CAS Number	120826-42-8
SMILES	`C1C(C2COC3=NC(=O)C(=CN3C1O2)I)N=[N+]=[N-]`
InChIKey	`ZIJPHYKZPQZKAJ-RRKCRQDMSA-N`

📖 Product Overview

(1R,10S,11S)-11-azido-4-iodo-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one (CAS: 120826-42-8) is a chemical compound with molecular formula C9H8IN5O3 and molecular weight 361.1 g/mol. Its IUPAC systematic name is (1R,10S,11S)-11-azido-4-iodo-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one. LogP 1.4 Topological Polar Surface Area 65.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 360.9672 Heavy Atoms 18 Complexity 512.0 InChI Key: ZIJPHYKZPQZKAJ-RRKCRQDMSA-N. SMILES: C1C(C2COC3=NC(=O)C(=CN3C1O2)I)N=[N+]=[N-].

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