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Home > Bromides > 1000018-34-7
1000018-34-7 | 1-[(5-Bromo-2-methyl-4-methylsulfonyl)phenyl]piperidine-4-carboxamide
CAS No: 1000018-34-7 Catalog No: AG01EQIH MDL No:
Product Description
Catalog Number:
AG01EQIH
Chemical Name:
1-[(5-Bromo-2-methyl-4-methylsulfonyl)phenyl]piperidine-4-carboxamide
CAS Number:
1000018-34-7
Molecular Formula:
C14H19BrN2O3S
Molecular Weight:
375.2813
IUPAC Name:
1-(5-bromo-2-methyl-4-methylsulfonylphenyl)piperidine-4-carboxamide
InChI:
InChI=1S/C14H19BrN2O3S/c1-9-7-13(21(2,19)20)11(15)8-12(9)17-5-3-10(4-6-17)14(16)18/h7-8,10H,3-6H2,1-2H3,(H2,16,18)
InChI Key:
GBNWGFUNIFCJNH-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCN(CC1)c1cc(Br)c(cc1C)S(=O)(=O)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.03g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.281g/mol
Monoisotopic Mass:
374.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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