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10271-27-9 | Acetic acid, [3-(4-nitrophenyl)-1-triazenyl]-, ethyl ester (9CI)
CAS No: 10271-27-9 Catalog No: AG000875 MDL No:
Product Description
Catalog Number:
AG000875
Chemical Name:
Acetic acid, [3-(4-nitrophenyl)-1-triazenyl]-, ethyl ester (9CI)
CAS Number:
10271-27-9
Molecular Formula:
C10H12N4O4
Molecular Weight:
252.2267
IUPAC Name:
ethyl 2-[(4-nitroanilino)diazenyl]acetate
InChI:
InChI=1S/C10H12N4O4/c1-2-18-10(15)7-11-13-12-8-3-5-9(6-4-8)14(16)17/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key:
KWZDILDLBZZLQT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN=NNc1ccc(cc1)[N+](=O)[O-]
NSC Number:
279273
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.23g/mol
Monoisotopic Mass:
252.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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