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Home > Bromides > 1171071-46-7
1171071-46-7 | Quinoline, 6-bromo-2-butyl-4-chloro-, hydrochloride (1:1)
CAS No: 1171071-46-7 Catalog No: AG000DQE MDL No:
Product Description
Catalog Number:
AG000DQE
Chemical Name:
Quinoline, 6-bromo-2-butyl-4-chloro-, hydrochloride (1:1)
CAS Number:
1171071-46-7
Molecular Formula:
C13H14BrCl2N
Molecular Weight:
335.0670
IUPAC Name:
6-bromo-2-butyl-4-chloroquinoline;hydrochloride
InChI:
InChI=1S/C13H13BrClN.ClH/c1-2-3-4-10-8-12(15)11-7-9(14)5-6-13(11)16-10;/h5-8H,2-4H2,1H3;1H
InChI Key:
BNGIQQIPRWKAGU-UHFFFAOYSA-N
SMILES:
CCCCc1cc(Cl)c2c(n1)ccc(c2)Br.Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.969g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.066g/mol
Monoisotopic Mass:
332.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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