Home Other Building Blocks 5,6-difluoro-1,2,3,4-tetrahydroisoquinoline

5,6-difluoro-1,2,3,4-tetrahydroisoquinoline

CAS No.:
215788-57-1
Catalog Number:
AG01A3TJ
Molecular Formula:
C9H9F2N
Molecular Weight:
169.1713
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Product Description
Catalog Number:
AG01A3TJ
Chemical Name:
5,6-difluoro-1,2,3,4-tetrahydroisoquinoline
CAS Number:
215788-57-1
Molecular Formula:
C9H9F2N
Molecular Weight:
169.1713
MDL Number:
MFCD18860745
IUPAC Name:
5,6-difluoro-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C9H9F2N/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-2,12H,3-5H2
InChI Key:
LSKHHGQHKLKTRX-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1F)CCNC2
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.07g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.175g/mol
Monoisotopic Mass:
169.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties