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1199773-17-5 | Piperidine, 1-[[4-(4-bromo-1H-pyrazol-1-yl)phenyl]sulfonyl]-
CAS No: 1199773-17-5 Catalog No: AG000PXP MDL No:MFCD13195747
Product Description
Catalog Number:
AG000PXP
Chemical Name:
Piperidine, 1-[[4-(4-bromo-1H-pyrazol-1-yl)phenyl]sulfonyl]-
CAS Number:
1199773-17-5
Molecular Formula:
C14H16BrN3O2S
Molecular Weight:
370.2647
MDL Number:
MFCD13195747
IUPAC Name:
1-[4-(4-bromopyrazol-1-yl)phenyl]sulfonylpiperidine
InChI:
InChI=1S/C14H16BrN3O2S/c15-12-10-16-18(11-12)13-4-6-14(7-5-13)21(19,20)17-8-2-1-3-9-17/h4-7,10-11H,1-3,8-9H2
InChI Key:
GRSHOZSMDJHJEH-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.015g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.265g/mol
Monoisotopic Mass:
369.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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