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Home > Bromides > 1170370-51-0
1170370-51-0 | Quinoline, 6-bromo-4-chloro-2-(1-methylethyl)-, hydrochloride (1:1)
CAS No: 1170370-51-0 Catalog No: AG000DLN MDL No:
Product Description
Catalog Number:
AG000DLN
Chemical Name:
Quinoline, 6-bromo-4-chloro-2-(1-methylethyl)-, hydrochloride (1:1)
CAS Number:
1170370-51-0
Molecular Formula:
C12H12BrCl2N
Molecular Weight:
321.0404
IUPAC Name:
6-bromo-4-chloro-2-propan-2-ylquinoline;hydrochloride
InChI:
InChI=1S/C12H11BrClN.ClH/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12;/h3-7H,1-2H3;1H
InChI Key:
QJPXTZSHWUMPIV-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(Cl)cc(n2)C(C)C.Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.953g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.039g/mol
Monoisotopic Mass:
318.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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