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1233958-97-8 | 3-Bromo-N-(piperidine-4-yl)benzamido hydrochloride
CAS No: 1233958-97-8 Catalog No: AG01F8YR MDL No:
Product Description
Catalog Number:
AG01F8YR
Chemical Name:
3-Bromo-N-(piperidine-4-yl)benzamido hydrochloride
CAS Number:
1233958-97-8
Molecular Formula:
C12H16BrClN2O
Molecular Weight:
319.6252
IUPAC Name:
3-bromo-N-piperidin-4-ylbenzamide;hydrochloride
InChI:
InChI=1S/C12H15BrN2O.ClH/c13-10-3-1-2-9(8-10)12(16)15-11-4-6-14-7-5-11;/h1-3,8,11,14H,4-7H2,(H,15,16);1H
InChI Key:
QINFJRZAMRLFCU-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)NC1CCNCC1.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
319.627g/mol
Monoisotopic Mass:
318.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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