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Home > Nitro Compounds > 75912-31-1
75912-31-1 | 1-(4-nitrophenyl)-2-(pentan-3-ylidene)hydrazine
CAS No: 75912-31-1 Catalog No: AG005984 MDL No:
Product Description
Catalog Number:
AG005984
Chemical Name:
1-(4-nitrophenyl)-2-(pentan-3-ylidene)hydrazine
CAS Number:
75912-31-1
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
IUPAC Name:
4-nitro-N-(pentan-3-ylideneamino)aniline
InChI:
InChI=1S/C11H15N3O2/c1-3-9(4-2)12-13-10-5-7-11(8-6-10)14(15)16/h5-8,13H,3-4H2,1-2H3
InChI Key:
AGHFBJYIZFCEIR-UHFFFAOYSA-N
SMILES:
CCC(=NNc1ccc(cc1)[N+](=O)[O-])CC
NSC Number:
99827
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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