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84501-69-9 | Piperidine,4-bromo-4-(4-chlorophenyl)-, hydrobromide (1:1)
CAS No: 84501-69-9 Catalog No: AG0054QD MDL No:
Product Description
Catalog Number:
AG0054QD
Chemical Name:
Piperidine,4-bromo-4-(4-chlorophenyl)-, hydrobromide (1:1)
CAS Number:
84501-69-9
Molecular Formula:
C11H14Br2ClN
Molecular Weight:
355.4966
IUPAC Name:
4-bromo-4-(4-chlorophenyl)piperidin-1-ium;bromide
InChI:
InChI=1S/C11H13BrClN.BrH/c12-11(5-7-14-8-6-11)9-1-3-10(13)4-2-9;/h1-4,14H,5-8H2;1H
InChI Key:
HOXJBAUKZCJINO-UHFFFAOYSA-N
SMILES:
BrC1(CC[NH2+]CC1)c1ccc(cc1)Cl.[Br-]
EC Number:
282-989-0
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.916g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.498g/mol
Monoisotopic Mass:
352.918g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
16.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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