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Home > Nitro Compounds > 83711-60-8
83711-60-8 | 3-(3-(4-Nitrophenyl)triazen-1-yl)butan-2-one
CAS No: 83711-60-8 Catalog No: AG0056BC MDL No:
Product Description
Catalog Number:
AG0056BC
Chemical Name:
3-(3-(4-Nitrophenyl)triazen-1-yl)butan-2-one
CAS Number:
83711-60-8
Molecular Formula:
C10H12N4O3
Molecular Weight:
236.2273
IUPAC Name:
3-[(4-nitroanilino)diazenyl]butan-2-one
InChI:
InChI=1S/C10H12N4O3/c1-7(8(2)15)11-13-12-9-3-5-10(6-4-9)14(16)17/h3-7H,1-2H3,(H,11,12)
InChI Key:
ZMTRZXXDZGOIOP-UHFFFAOYSA-N
SMILES:
CC(=O)C(N=NNc1ccc(cc1)[N+](=O)[O-])C
EC Number:
280-558-1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.231g/mol
Monoisotopic Mass:
236.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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