1,7-dibromoisoquinolin-3-amine

1,7-dibromoisoquinolin-3-amine

CAS: 925672-86-2

Formula: C9H6Br2N2

SMILES: NC1=NC(Br)=C2C=C(Br)C=CC2=C1

IUPAC: 1,7-dibromoisoquinolin-3-amine

InChI: InChI=1S/C9H6Br2N2/c10-6-2-1-5-3-8(12)13-9(11)7(5)4-6/h1-4H,(H2,12,13)

Composition: C (35.80%), H (2.00%), Br (52.92%), N (9.28%)

Molar Mass: 301.969

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	299.889774
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YPMHWINOTYQHHO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.45
Topological Polar Surface Area	38.91
Polarizability	23.76
Ring Count	2
Rotatable Bond Count	0

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