7-bromo-6-nitro-1,2,3,4-tetrahydroisoquinoline

7-bromo-6-nitro-1,2,3,4-tetrahydroisoquinoline

CAS: 186390-62-5

Formula: C9H9BrN2O2

SMILES: [O-][N+](=O)C1=CC2=C(CNCC2)C=C1Br

IUPAC: 7-bromo-6-nitro-1,2,3,4-tetrahydroisoquinoline

InChI: InChI=1S/C9H9BrN2O2/c10-8-3-7-5-11-2-1-6(7)4-9(8)12(13)14/h3-4,11H,1-2,5H2

Composition: C (42.05%), H (3.53%), Br (31.08%), N (10.90%), O (12.45%)

Molar Mass: 257.087

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.984741
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MLIZUKAIRKGUIM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.56
Topological Polar Surface Area	55.17
Polarizability	21.35
Ring Count	2
Rotatable Bond Count	1

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