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80819-05-2 | Benzamide, 3,5-dichloro-N-(4-pyridinylmethyl)-
CAS No: 80819-05-2 Catalog No: AG0057X4 MDL No:
Product Description
Catalog Number:
AG0057X4
Chemical Name:
Benzamide, 3,5-dichloro-N-(4-pyridinylmethyl)-
CAS Number:
80819-05-2
Molecular Formula:
C13H10Cl2N2O
Molecular Weight:
281.1373
IUPAC Name:
3,5-dichloro-N-(pyridin-4-ylmethyl)benzamide
InChI:
InChI=1S/C13H10Cl2N2O/c14-11-5-10(6-12(15)7-11)13(18)17-8-9-1-3-16-4-2-9/h1-7H,8H2,(H,17,18)
InChI Key:
OSSNWEVMHJTGCM-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)C(=O)NCc1ccncc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.136g/mol
Monoisotopic Mass:
280.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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