5,8-dichloro-7-nitro-1,2,3,4-tetrahydroisoquinoline

5,8-dichloro-7-nitro-1,2,3,4-tetrahydroisoquinoline

CAS: 1261079-69-9

Formula: C9H8Cl2N2O2

SMILES: [O-][N+](=O)C1=C(Cl)C2=C(CCNC2)C(Cl)=C1

IUPAC: 5,8-dichloro-7-nitro-1,2,3,4-tetrahydroisoquinoline

InChI: InChI=1S/C9H8Cl2N2O2/c10-7-3-8(13(14)15)9(11)6-4-12-2-1-5(6)7/h3,12H,1-2,4H2

Composition: C (43.75%), H (3.26%), Cl (28.70%), N (11.34%), O (12.95%)

Molar Mass: 247.08

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.9962829
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QPTPFMNJFRVNGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.55
Topological Polar Surface Area	55.17
Polarizability	22.33
Ring Count	2
Rotatable Bond Count	1

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1261079-69-9		$51.35-$598.69$51.35$63.37$86.31$374.73$598.69