Home Halogens 3-bromo-1-(4-bromo-3-methylphenyl)piperidin-2-one

3-bromo-1-(4-bromo-3-methylphenyl)piperidin-2-one

CAS No.:
1341968-84-0
Catalog Number:
AG01AC7O
Molecular Formula:
C12H13Br2NO
Molecular Weight:
347.0457
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Product Description
Catalog Number:
AG01AC7O
Chemical Name:
3-bromo-1-(4-bromo-3-methylphenyl)piperidin-2-one
CAS Number:
1341968-84-0
Molecular Formula:
C12H13Br2NO
Molecular Weight:
347.0457
MDL Number:
MFCD19678908
IUPAC Name:
3-bromo-1-(4-bromo-3-methylphenyl)piperidin-2-one
InChI:
InChI=1S/C12H13Br2NO/c1-8-7-9(4-5-10(8)13)15-6-2-3-11(14)12(15)16/h4-5,7,11H,2-3,6H2,1H3
InChI Key:
LQMSWAGYZLICPN-UHFFFAOYSA-N
SMILES:
O=C1C(Br)CCCN1c1ccc(c(c1)C)Br
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.934g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.05g/mol
Monoisotopic Mass:
344.936g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties