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1353953-85-1 | 2-(bromomethyl)-3-(methylthio)pyrazine hydrochloridee
CAS No: 1353953-85-1 Catalog No: AG01F88W MDL No:
Product Description
Catalog Number:
AG01F88W
Chemical Name:
2-(bromomethyl)-3-(methylthio)pyrazine hydrochloridee
CAS Number:
1353953-85-1
Molecular Formula:
C6H8BrClN2S
Molecular Weight:
255.5631
IUPAC Name:
2-(bromomethyl)-3-methylsulfanylpyrazine;hydrochloride
InChI:
InChI=1S/C6H7BrN2S.ClH/c1-10-6-5(4-7)8-2-3-9-6;/h2-3H,4H2,1H3;1H
InChI Key:
WKLIWDRXXAQVGD-UHFFFAOYSA-N
SMILES:
CSc1nccnc1CBr.Cl
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.928g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.558g/mol
Monoisotopic Mass:
253.928g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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