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1353976-91-6 | 2-Chloromethyl-3-methylsulfanyl-pyrazine
CAS No: 1353976-91-6 Catalog No: AG01FBZ2 MDL No:
Product Description
Catalog Number:
AG01FBZ2
Chemical Name:
2-Chloromethyl-3-methylsulfanyl-pyrazine
CAS Number:
1353976-91-6
Molecular Formula:
C6H7ClN2S
Molecular Weight:
174.6512
IUPAC Name:
2-(chloromethyl)-3-methylsulfanylpyrazine
InChI:
InChI=1S/C6H7ClN2S/c1-10-6-5(4-7)8-2-3-9-6/h2-3H,4H2,1H3
InChI Key:
XWDLLGLSODGCJR-UHFFFAOYSA-N
SMILES:
CSc1nccnc1CCl
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.002g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.646g/mol
Monoisotopic Mass:
174.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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