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73972-63-1 | 3-CHLORO-5-(DICHLOROMETHYL)-2-METHOXY-PYRAZINE
CAS No: 73972-63-1 Catalog No: AG005IUP MDL No:
Product Description
Catalog Number:
AG005IUP
Chemical Name:
3-CHLORO-5-(DICHLOROMETHYL)-2-METHOXY-PYRAZINE
CAS Number:
73972-63-1
Molecular Formula:
C6H5Cl3N2O
Molecular Weight:
227.4757
IUPAC Name:
3-chloro-5-(dichloromethyl)-2-methoxypyrazine
InChI:
InChI=1S/C6H5Cl3N2O/c1-12-6-5(9)11-3(2-10-6)4(7)8/h2,4H,1H3
InChI Key:
QMGUSHIZVYNVKJ-UHFFFAOYSA-N
SMILES:
COc1ncc(nc1Cl)C(Cl)Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.469g/mol
Monoisotopic Mass:
225.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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