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Home > Imidazoles > 2031269-33-5
2031269-33-5 | 1-(cyclopropylmethyl)-2-ethyl-1H-imidazole-5-sulfonyl chloride
CAS No: 2031269-33-5 Catalog No: AG01BUYH MDL No:MFCD30345321
Product Description
Catalog Number:
AG01BUYH
Chemical Name:
1-(cyclopropylmethyl)-2-ethyl-1H-imidazole-5-sulfonyl chloride
CAS Number:
2031269-33-5
Molecular Formula:
C9H13ClN2O2S
Molecular Weight:
248.7297
MDL Number:
MFCD30345321
IUPAC Name:
3-(cyclopropylmethyl)-2-ethylimidazole-4-sulfonyl chloride
InChI:
InChI=1S/C9H13ClN2O2S/c1-2-8-11-5-9(15(10,13)14)12(8)6-7-3-4-7/h5,7H,2-4,6H2,1H3
InChI Key:
QIVGOKVIYLZKMO-UHFFFAOYSA-N
SMILES:
CCc1ncc(n1CC1CC1)S(=O)(=O)Cl
Properties
Complexity:
324
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:
4
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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