Home Halogens 8-bromo-5-methoxyisoquinoline

8-bromo-5-methoxyisoquinoline

CAS No.:
521313-45-1
Catalog Number:
AG01C468
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
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Product Description
Catalog Number:
AG01C468
Chemical Name:
8-bromo-5-methoxyisoquinoline
CAS Number:
521313-45-1
Molecular Formula:
C10H8BrNO
Molecular Weight:
238.0806
MDL Number:
MFCD22414512
IUPAC Name:
8-bromo-5-methoxyisoquinoline
InChI:
InChI=1S/C10H8BrNO/c1-13-10-3-2-9(11)8-6-12-5-4-7(8)10/h2-6H,1H3
InChI Key:
XHGUNYMDWPMTEN-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1ccnc2)Br
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.979g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.084g/mol
Monoisotopic Mass:
236.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties