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1353979-17-5 | 2-Chloro-N-(6-chloro-pyridazin-3-ylmethyl)-acetamide
CAS No: 1353979-17-5 Catalog No: AG01F8I9 MDL No:
Product Description
Catalog Number:
AG01F8I9
Chemical Name:
2-Chloro-N-(6-chloro-pyridazin-3-ylmethyl)-acetamide
CAS Number:
1353979-17-5
Molecular Formula:
C7H7Cl2N3O
Molecular Weight:
220.0560
IUPAC Name:
2-chloro-N-[(6-chloropyridazin-3-yl)methyl]acetamide
InChI:
InChI=1S/C7H7Cl2N3O/c8-3-7(13)10-4-5-1-2-6(9)12-11-5/h1-2H,3-4H2,(H,10,13)
InChI Key:
NGGFRPHDKRYVAS-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCc1ccc(nn1)Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.053g/mol
Monoisotopic Mass:
218.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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