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29110-47-2 | Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-
CAS No: 29110-47-2 Catalog No: AG002XCA MDL No:
Product Description
Catalog Number:
AG002XCA
Chemical Name:
Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-
CAS Number:
29110-47-2
Molecular Formula:
C9H9Cl2N3O
Molecular Weight:
246.0933
IUPAC Name:
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide
InChI:
InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
InChI Key:
INJOMKTZOLKMBF-UHFFFAOYSA-N
SMILES:
NN=CNC(=O)Cc1c(Cl)cccc1Cl
EC Number:
249-442-8
UNII:
30OMY4G3MK
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.091g/mol
Monoisotopic Mass:
245.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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