Home Other Building Blocks 8-BroMo-1-Methylisoquinoline

8-BroMo-1-Methylisoquinoline

CAS No.:
1312905-33-1
Catalog Number:
AG009E93
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
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Product Description
Catalog Number:
AG009E93
Chemical Name:
8-BroMo-1-Methylisoquinoline
CAS Number:
1312905-33-1
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
MDL Number:
MFCD22689698
IUPAC Name:
8-bromo-1-methylisoquinoline
InChI:
InChI=1S/C10H8BrN/c1-7-10-8(5-6-12-7)3-2-4-9(10)11/h2-6H,1H3
InChI Key:
CAJMCLYXTVCWMP-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1c(C)ncc2
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.984g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.085g/mol
Monoisotopic Mass:
220.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties