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8-Bromo-6-methylisoquinoline

CAT: 0926-ZXC11900-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-ZXC11900-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1824119-00-7
MDL Number
MFCD22370590
Smiles
CC1=CC2=C (C=NC=C2) C (=C1) Br
Molecular Formula
C10H8BrN
Molecular Weight
222.08 g/mol
Controlled
No

Chemical Information

8-Bromo-6-methylisoquinoline
CAS Number1824119-00-7
PubChem CID59534982
IUPAC Name8-bromo-6-methylisoquinoline
Molecular FormulaC10H8BrN
Molecular Weight222.08
XLogP3.2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
CC1=CC2=C(C=NC=C2)C(=C1)Br
InChI
InChI=1S/C10H8BrN/c1-7-4-8-2-3-12-6-9(8)10(11)5-7/h2-6H,1H3
InChIKey
YUYSEYFFNVZQMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Bromo-6-methylisoquinoline
CAS: 1824119-00-7
CID: 59534982
Formula: C10H8BrN
MW: 222.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.08
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass220.98401
Monoisotopic Mass220.98401
Topological Polar Surface Area12.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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