Home Halogens 7-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline

7-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline

CAS No.:
1780581-19-2
Catalog Number:
AG01BIOW
Molecular Formula:
C9H9BrFN
Molecular Weight:
230.0769
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Product Description
Catalog Number:
AG01BIOW
Chemical Name:
7-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1780581-19-2
Molecular Formula:
C9H9BrFN
Molecular Weight:
230.0769
IUPAC Name:
7-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C9H9BrFN/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
InChI Key:
MVNGHXOUJOLZIK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1F)CNCC2
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.99g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.08g/mol
Monoisotopic Mass:
228.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties