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89007-66-9 | Piperidine, 1-(3-bromo-1-methylpropyl)-4-chloro-
CAS No: 89007-66-9 Catalog No: AG0043O9 MDL No:
Product Description
Catalog Number:
AG0043O9
Chemical Name:
Piperidine, 1-(3-bromo-1-methylpropyl)-4-chloro-
CAS Number:
89007-66-9
Molecular Formula:
C9H17BrClN
Molecular Weight:
254.5950
IUPAC Name:
1-(4-bromobutan-2-yl)-4-chloropiperidine
InChI:
InChI=1S/C9H17BrClN/c1-8(2-5-10)12-6-3-9(11)4-7-12/h8-9H,2-7H2,1H3
InChI Key:
UAHRGINPPVCLAB-UHFFFAOYSA-N
SMILES:
BrCCC(N1CCC(CC1)Cl)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.596g/mol
Monoisotopic Mass:
253.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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