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100479-58-1 | Benzamide, 3,5-dichloro-N-(cyanomethyl)-
CAS No: 100479-58-1 Catalog No: AG00022X MDL No:
Product Description
Catalog Number:
AG00022X
Chemical Name:
Benzamide, 3,5-dichloro-N-(cyanomethyl)-
CAS Number:
100479-58-1
Molecular Formula:
C9H6Cl2N2O
Molecular Weight:
229.0627
IUPAC Name:
3,5-dichloro-N-(cyanomethyl)benzamide
InChI:
InChI=1S/C9H6Cl2N2O/c10-7-3-6(4-8(11)5-7)9(14)13-2-1-12/h3-5H,2H2,(H,13,14)
InChI Key:
JJWBJARZFGFYJE-UHFFFAOYSA-N
SMILES:
N#CCNC(=O)c1cc(Cl)cc(c1)Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.06g/mol
Monoisotopic Mass:
227.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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