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Home > Bromides > 1195901-53-1
1195901-53-1 | Quinoline, 7-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS No: 1195901-53-1 Catalog No: AG000IZ8 MDL No:MFCD09026780
Product Description
Catalog Number:
AG000IZ8
Chemical Name:
Quinoline, 7-bromo-1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS Number:
1195901-53-1
Molecular Formula:
C9H11BrClN
Molecular Weight:
248.5473
MDL Number:
MFCD09026780
IUPAC Name:
7-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride
InChI:
InChI=1S/C9H10BrN.ClH/c10-8-4-3-7-2-1-5-11-9(7)6-8;/h3-4,6,11H,1-2,5H2;1H
InChI Key:
KPGKNWBIPSLETQ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)NCCC2.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.548g/mol
Monoisotopic Mass:
246.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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