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70173-54-5 | 9-Bromo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline
CAS No: 70173-54-5 Catalog No: AG005KRS MDL No:MFCD03001720
Product Description
Catalog Number:
AG005KRS
Chemical Name:
9-Bromo-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline
CAS Number:
70173-54-5
Molecular Formula:
C12H14BrN
Molecular Weight:
252.1503
MDL Number:
MFCD03001720
IUPAC Name:
7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
InChI:
InChI=1S/C12H14BrN/c13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2
InChI Key:
PVTRKHJBWSTNOI-UHFFFAOYSA-N
SMILES:
Brc1cc2CCCN3c2c(c1)CCC3
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.155g/mol
Monoisotopic Mass:
251.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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