Compound C16H17BrN2O5

10-bromo-6-methyl-3-oxa-6-aza-11-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;2-hydroxy-2-oxoacetate

CAS: 84132-04-7

Molecular Formula	`C16H17BrN2O5`
Molecular Weight	397.22 g/mol
Topological Polar Surface Area	107.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	0
Exact Mass	396.03207
Heavy Atoms	24
Complexity	475.0

Chemical Identifiers

CAS Number	84132-04-7
SMILES	`CN1CCOC2C1CC3=C([NH2+]C4=CC=CC2=C34)Br.C(=O)(C(=O)[O-])O`
InChIKey	`KISVIJFFQBRCCC-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H17BrN2O5 (CAS: 84132-04-7) is a chemical compound with molecular formula C16H17BrN2O5 and molecular weight 397.22 g/mol. Its IUPAC systematic name is 10-bromo-6-methyl-3-oxa-6-aza-11-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 107.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 0 Exact Mass 396.03207 Heavy Atoms 24 Complexity 475.0 InChI Key: KISVIJFFQBRCCC-UHFFFAOYSA-N. SMILES: CN1CCOC2C1CC3=C([NH2+]C4=CC=CC2=C34)Br.C(=O)(C(=O)[O-])O.

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