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5-(bromomethyl)isoquinoline hydrobromide

5-(bromomethyl)isoquinoline hydrobromide

CAS: 586373-76-4

Formula: C10H9Br2N

SMILES: Br.BrCC1=CC=CC2=CN=CC=C12

IUPAC: 5-(bromomethyl)isoquinoline hydrobromide

InChI: InChI=1S/C10H8BrN.BrH/c11-6-8-2-1-3-9-7-12-5-4-10(8)9;/h1-5,7H,6H2;1H

Composition: C (39.64%), H (2.99%), Br (52.74%), N (4.62%)

Molar Mass: 302.997

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 300.910175
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LZMGMJIKMWSHCV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.2
Topological Polar Surface Area 12.89
Polarizability 21.34
Ring Count 2
Rotatable Bond Count 1

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95% <5 Days 586373-76-4 $2,200.00-$3,850.00$2,200.00$2,970.00$3,850.00
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