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2059945-22-9 | 5H,6H,7H,8H,9H,10H-imidazo[1,2-a]azocine-3-sulfonyl chloride
CAS No: 2059945-22-9 Catalog No: AG01BYIL MDL No:MFCD30486755
Product Description
Catalog Number:
AG01BYIL
Chemical Name:
5H,6H,7H,8H,9H,10H-imidazo[1,2-a]azocine-3-sulfonyl chloride
CAS Number:
2059945-22-9
Molecular Formula:
C9H13ClN2O2S
Molecular Weight:
248.7297
MDL Number:
MFCD30486755
IUPAC Name:
5,6,7,8,9,10-hexahydroimidazo[1,2-a]azocine-3-sulfonyl chloride
InChI:
InChI=1S/C9H13ClN2O2S/c10-15(13,14)9-7-11-8-5-3-1-2-4-6-12(8)9/h7H,1-6H2
InChI Key:
QNVLESGPGHRTDX-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cnc2n1CCCCCC2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.725g/mol
Monoisotopic Mass:
248.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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