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Home > Bromides > 1000018-36-9
1000018-36-9 | 1-[5-Bromo-2-methyl-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid
CAS No: 1000018-36-9 Catalog No: AG01FGFE MDL No:
Product Description
Catalog Number:
AG01FGFE
Chemical Name:
1-[5-Bromo-2-methyl-4-(methylsulphonyl)phenyl]piperidine-3-carboxylic acid
CAS Number:
1000018-36-9
IUPAC Name:
1-(5-bromo-2-methyl-4-methylsulfonylphenyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C14H18BrNO4S/c1-9-6-13(21(2,19)20)11(15)7-12(9)16-5-3-4-10(8-16)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)
InChI Key:
QDVUIDMVPCVVGN-UHFFFAOYSA-N
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.014g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.265g/mol
Monoisotopic Mass:
375.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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