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Home > Bromides > 1016847-66-7
1016847-66-7 | 2-Piperidinone, 1-(3-bromophenyl)-
CAS No: 1016847-66-7 Catalog No: AG00057I MDL No:MFCD04037063
Product Description
Catalog Number:
AG00057I
Chemical Name:
2-Piperidinone, 1-(3-bromophenyl)-
CAS Number:
1016847-66-7
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD04037063
IUPAC Name:
1-(3-bromophenyl)piperidin-2-one
InChI:
InChI=1S/C11H12BrNO/c12-9-4-3-5-10(8-9)13-7-2-1-6-11(13)14/h3-5,8H,1-2,6-7H2
InChI Key:
UYKXCRWDVIEYPY-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)N1CCCCC1=O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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