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Home > Nitro Compounds > 1212357-90-8
1212357-90-8 | N-((S)-1-Hydrazinocarbonyl-2-methyl-propyl)-3-nitro-benzamide
CAS No: 1212357-90-8 Catalog No: AG01F6D9 MDL No:
Product Description
Catalog Number:
AG01F6D9
Chemical Name:
N-((S)-1-Hydrazinocarbonyl-2-methyl-propyl)-3-nitro-benzamide
CAS Number:
1212357-90-8
Molecular Formula:
C12H16N4O4
Molecular Weight:
280.2798
IUPAC Name:
N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide
InChI:
InChI=1S/C12H16N4O4/c1-7(2)10(12(18)15-13)14-11(17)8-4-3-5-9(6-8)16(19)20/h3-7,10H,13H2,1-2H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChI Key:
YWHCCWKSNJVCGZ-JTQLQIEISA-N
SMILES:
NNC(=O)[C@H](C(C)C)NC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.117g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.284g/mol
Monoisotopic Mass:
280.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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