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Home > Imidazoles > 914637-93-7
914637-93-7 | 5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-sulfonyl chloride
CAS No: 914637-93-7 Catalog No: AG00IGPW MDL No:MFCD08235265
Product Description
Catalog Number:
AG00IGPW
Chemical Name:
5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-sulfonyl chloride
CAS Number:
914637-93-7
Molecular Formula:
C8H11ClN2O2S
Molecular Weight:
234.7031
MDL Number:
MFCD08235265
IUPAC Name:
6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-sulfonyl chloride
InChI:
InChI=1S/C8H11ClN2O2S/c9-14(12,13)8-6-10-7-4-2-1-3-5-11(7)8/h6H,1-5H2
InChI Key:
KYMGLAHHJPRFFV-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cnc2n1CCCCC2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.698g/mol
Monoisotopic Mass:
234.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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