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178980-02-4

178980-02-4 | 1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)sulfonyl]-1-methyl-4-(1-methylethyl)-

CAS No: 178980-02-4 Catalog No: AG0026MB MDL No:

Product Description

Catalog Number:
AG0026MB
Chemical Name:
1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)sulfonyl]-1-methyl-4-(1-methylethyl)-
CAS Number:
178980-02-4
Molecular Formula:
C14H16Cl2N2O3S
Molecular Weight:
363.2594
IUPAC Name:
[5-(3,5-dichlorophenyl)sulfonyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
InChI:
InChI=1S/C14H16Cl2N2O3S/c1-8(2)13-14(18(3)12(7-19)17-13)22(20,21)11-5-9(15)4-10(16)6-11/h4-6,8,19H,7H2,1-3H3
InChI Key:
LZPGWPLAVRGRNU-UHFFFAOYSA-N
SMILES:
OCc1nc(c(n1C)S(=O)(=O)c1cc(Cl)cc(c1)Cl)C(C)C

Properties

Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.026g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
363.253g/mol
Monoisotopic Mass:
362.026g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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