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815585-86-5 | 2,4-Pentadienamide, N-(aminoiminomethyl)-5-(2-bromophenyl)-
CAS No: 815585-86-5 Catalog No: AG005JU5 MDL No:
Product Description
Catalog Number:
AG005JU5
Chemical Name:
2,4-Pentadienamide, N-(aminoiminomethyl)-5-(2-bromophenyl)-
CAS Number:
815585-86-5
Molecular Formula:
C12H12BrN3O
Molecular Weight:
294.1472
IUPAC Name:
5-(2-bromophenyl)-N-methanehydrazonoylpenta-2,4-dienamide
InChI:
InChI=1S/C12H12BrN3O/c13-11-7-3-1-5-10(11)6-2-4-8-12(17)15-9-16-14/h1-9H,14H2,(H,15,16,17)
InChI Key:
YKDLSMKCTHPGFT-UHFFFAOYSA-N
SMILES:
NN=CNC(=O)C=CC=Cc1ccccc1Br
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.152g/mol
Monoisotopic Mass:
293.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
2.7
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