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Home > Bromides > 1824129-89-6
1824129-89-6 | 5-(bromomethyl)-1-isopropyl-2-piperidinone
CAS No: 1824129-89-6 Catalog No: AG01EHPB MDL No:MFCD22396874
Product Description
Catalog Number:
AG01EHPB
Chemical Name:
5-(bromomethyl)-1-isopropyl-2-piperidinone
CAS Number:
1824129-89-6
Molecular Formula:
C9H16BrNO
Molecular Weight:
234.1334
MDL Number:
MFCD22396874
IUPAC Name:
5-(bromomethyl)-1-propan-2-ylpiperidin-2-one
InChI:
InChI=1S/C9H16BrNO/c1-7(2)11-6-8(5-10)3-4-9(11)12/h7-8H,3-6H2,1-2H3
InChI Key:
KLUMGEZNAICMMU-UHFFFAOYSA-N
SMILES:
BrCC1CCC(=O)N(C1)C(C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.137g/mol
Monoisotopic Mass:
233.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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