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101853-81-0 | 1H-Imidazole, 4,5-dibromo-2-(ethylthio)-1-(methoxymethyl)-
CAS No: 101853-81-0 Catalog No: AG0005Q7 MDL No:
Product Description
Catalog Number:
AG0005Q7
Chemical Name:
1H-Imidazole, 4,5-dibromo-2-(ethylthio)-1-(methoxymethyl)-
CAS Number:
101853-81-0
Molecular Formula:
C7H10Br2N2OS
Molecular Weight:
330.0401
IUPAC Name:
4,5-dibromo-2-ethylsulfanyl-1-(methoxymethyl)imidazole
InChI:
InChI=1S/C7H10Br2N2OS/c1-3-13-7-10-5(8)6(9)11(7)4-12-2/h3-4H2,1-2H3
InChI Key:
FOWITXTVPDXSBV-UHFFFAOYSA-N
SMILES:
CCSc1nc(c(n1COC)Br)Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.886g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.038g/mol
Monoisotopic Mass:
327.888g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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