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88473-84-1 | Benzamide, N-(3-diazo-1-ethyl-2-oxopropyl)-
CAS No: 88473-84-1 Catalog No: AG004AG7 MDL No:
Product Description
Catalog Number:
AG004AG7
Chemical Name:
Benzamide, N-(3-diazo-1-ethyl-2-oxopropyl)-
CAS Number:
88473-84-1
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
N-(1-diazo-2-oxopentan-3-yl)benzamide
InChI:
InChI=1S/C12H13N3O2/c1-2-10(11(16)8-14-13)15-12(17)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,15,17)
InChI Key:
GOPQXJDMCGUICO-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C=[N+]=[N-])NC(=O)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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