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81225-10-7 | Pyrazine, 5-chloro-3-methyl-2-phenyl-
CAS No: 81225-10-7 Catalog No: AG0054VS MDL No:
Product Description
Catalog Number:
AG0054VS
Chemical Name:
Pyrazine, 5-chloro-3-methyl-2-phenyl-
CAS Number:
81225-10-7
Molecular Formula:
C11H9ClN2
Molecular Weight:
204.6556
IUPAC Name:
5-chloro-3-methyl-2-phenylpyrazine
InChI:
InChI=1S/C11H9ClN2/c1-8-11(13-7-10(12)14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
HSBMKBSPSQZEIJ-UHFFFAOYSA-N
SMILES:
Clc1cnc(c(n1)C)c1ccccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.657g/mol
Monoisotopic Mass:
204.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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