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871880-44-3 | Benzamide,N-(dicyanomethyl)-
CAS No: 871880-44-3 Catalog No: AG004SL2 MDL No:
Product Description
Catalog Number:
AG004SL2
Chemical Name:
Benzamide,N-(dicyanomethyl)-
CAS Number:
871880-44-3
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
IUPAC Name:
N-(dicyanomethyl)benzamide
InChI:
InChI=1S/C10H7N3O/c11-6-9(7-12)13-10(14)8-4-2-1-3-5-8/h1-5,9H,(H,13,14)
InChI Key:
JUQKVZFGSSPROM-UHFFFAOYSA-N
SMILES:
N#CC(NC(=O)c1ccccc1)C#N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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