Compound C8H5BrN4

5-bromo-3,6,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene

CAS: 58860-36-9

Molecular Formula	`C8H5BrN4`
Molecular Weight	237.06 g/mol
LogP	2.6
Topological Polar Surface Area	35.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	235.96976
Heavy Atoms	13
Complexity	244.0

Chemical Identifiers

CAS Number	58860-36-9
SMILES	`C1=CN2C=CN3C(=CN=C3C2=N1)Br`
InChIKey	`CBORSZFNINNNCF-UHFFFAOYSA-N`

📖 Product Overview

Compound C8H5BrN4 (CAS: 58860-36-9) is a chemical compound with molecular formula C8H5BrN4 and molecular weight 237.06 g/mol. Its IUPAC systematic name is 5-bromo-3,6,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene. LogP 2.6 Topological Polar Surface Area 35.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 235.96976 Heavy Atoms 13 Complexity 244.0 InChI Key: CBORSZFNINNNCF-UHFFFAOYSA-N. SMILES: C1=CN2C=CN3C(=CN=C3C2=N1)Br.

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