Isobatzelline C

10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one

CAS: 133401-03-3

Molecular Formula	`C11H10ClN3O`
Molecular Weight	235.67 g/mol
LogP	0.8
Topological Polar Surface Area	60.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	235.05124
Heavy Atoms	16
Complexity	429.0

Chemical Identifiers

CAS Number	133401-03-3
SMILES	`CN1C=C2CCN=C3C2=C1C(=O)C(=C3Cl)N`
InChIKey	`QNUUYJZICNRMSA-UHFFFAOYSA-N`

📖 Product Overview

Isobatzelline C (CAS: 133401-03-3) is a chemical compound with molecular formula C11H10ClN3O and molecular weight 235.67 g/mol. Its IUPAC systematic name is 10-amino-9-chloro-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,7,9-tetraen-11-one. LogP 0.8 Topological Polar Surface Area 60.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 0 Exact Mass 235.05124 Heavy Atoms 16 Complexity 429.0 InChI Key: QNUUYJZICNRMSA-UHFFFAOYSA-N. SMILES: CN1C=C2CCN=C3C2=C1C(=O)C(=C3Cl)N.

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