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Home > Aldehydes > 111725-47-4
111725-47-4 | 4-Piperidinecarboxaldehyde, 4-bromo-1-methyl-, hydrobromide
CAS No: 111725-47-4 Catalog No: AG0081TR MDL No:
Product Description
Catalog Number:
AG0081TR
Chemical Name:
4-Piperidinecarboxaldehyde, 4-bromo-1-methyl-, hydrobromide
CAS Number:
111725-47-4
Molecular Formula:
C7H13Br2NO
Molecular Weight:
286.9922
IUPAC Name:
4-bromo-1-methylpiperidine-4-carbaldehyde;hydrobromide
InChI:
InChI=1S/C7H12BrNO.BrH/c1-9-4-2-7(8,6-10)3-5-9;/h6H,2-5H2,1H3;1H
InChI Key:
LMVVXOINJRUNNR-UHFFFAOYSA-N
SMILES:
O=CC1(Br)CCN(CC1)C.Br
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.934g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.995g/mol
Monoisotopic Mass:
284.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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