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128229-06-1 | Pyrazine, 2-(chloromethyl)-5-methyl-, hydrochloride (1:1)
CAS No: 128229-06-1 Catalog No: AG000XVW MDL No:MFCD17480419
Product Description
Catalog Number:
AG000XVW
Chemical Name:
Pyrazine, 2-(chloromethyl)-5-methyl-, hydrochloride (1:1)
CAS Number:
128229-06-1
Molecular Formula:
C6H8Cl2N2
Molecular Weight:
179.0471
MDL Number:
MFCD17480419
IUPAC Name:
2-(chloromethyl)-5-methylpyrazine;hydrochloride
InChI:
InChI=1S/C6H7ClN2.ClH/c1-5-3-9-6(2-7)4-8-5;/h3-4H,2H2,1H3;1H
InChI Key:
XCGNTLZPQQWVOK-UHFFFAOYSA-N
SMILES:
Cc1cnc(cn1)CCl.Cl
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.006g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.044g/mol
Monoisotopic Mass:
178.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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