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Home > Imidazoles > 1823526-67-5
1823526-67-5 | 2-methyl-5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-sulfonyl chloride
CAS No: 1823526-67-5 Catalog No: AG01B7RB MDL No:MFCD28145544
Product Description
Catalog Number:
AG01B7RB
Chemical Name:
2-methyl-5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-sulfonyl chloride
CAS Number:
1823526-67-5
Molecular Formula:
C9H13ClN2O2S
Molecular Weight:
248.7297
MDL Number:
MFCD28145544
IUPAC Name:
2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-sulfonyl chloride
InChI:
InChI=1S/C9H13ClN2O2S/c1-7-9(15(10,13)14)12-6-4-2-3-5-8(12)11-7/h2-6H2,1H3
InChI Key:
LOHJJNDWGFWLOX-UHFFFAOYSA-N
SMILES:
Cc1nc2n(c1S(=O)(=O)Cl)CCCCC2
Properties
Complexity:
328
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:
1.8
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