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Home > Imidazoles > 1492399-16-2
1492399-16-2 | [1-(propan-2-yl)-1H-imidazol-5-yl]methanesulfonyl chloride
CAS No: 1492399-16-2 Catalog No: AG01B3A8 MDL No:MFCD21701518
Product Description
Catalog Number:
AG01B3A8
Chemical Name:
[1-(propan-2-yl)-1H-imidazol-5-yl]methanesulfonyl chloride
CAS Number:
1492399-16-2
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
MDL Number:
MFCD21701518
IUPAC Name:
(3-propan-2-ylimidazol-4-yl)methanesulfonyl chloride
InChI:
InChI=1S/C7H11ClN2O2S/c1-6(2)10-5-9-3-7(10)4-13(8,11)12/h3,5-6H,4H2,1-2H3
InChI Key:
JJSCTISEKXHOFX-UHFFFAOYSA-N
SMILES:
CC(n1cncc1CS(=O)(=O)Cl)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.687g/mol
Monoisotopic Mass:
222.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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