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1334000-30-4

1334000-30-4 | 2-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride

CAS No: 1334000-30-4 Catalog No: AG01AKLB MDL No:MFCD19663587

Product Description

Catalog Number:
AG01AKLB
Chemical Name:
2-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride
CAS Number:
1334000-30-4
Molecular Formula:
C6H9ClN2O2S
Molecular Weight:
208.6659
MDL Number:
MFCD19663587
IUPAC Name:
2-propan-2-yl-1H-imidazole-5-sulfonyl chloride
InChI:
InChI=1S/C6H9ClN2O2S/c1-4(2)6-8-3-5(9-6)12(7,10)11/h3-4H,1-2H3,(H,8,9)
InChI Key:
ZWCLNNHXJPARMB-UHFFFAOYSA-N
SMILES:
CC(c1[nH]cc(n1)S(=O)(=O)Cl)C

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.007g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.66g/mol
Monoisotopic Mass:
208.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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