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Home > Nitro Compounds > 54013-20-6
54013-20-6 | 4-nitro-2-(1H-1,2,3,4-tetrazol-5-yl)aniline
CAS No: 54013-20-6 Catalog No: AG01BP49 MDL No:MFCD02766320
Product Description
Catalog Number:
AG01BP49
Chemical Name:
4-nitro-2-(1H-1,2,3,4-tetrazol-5-yl)aniline
CAS Number:
54013-20-6
Molecular Formula:
C7H6N6O2
Molecular Weight:
206.1615
MDL Number:
MFCD02766320
IUPAC Name:
4-nitro-2-(2H-tetrazol-5-yl)aniline
InChI:
InChI=1S/C7H6N6O2/c8-6-2-1-4(13(14)15)3-5(6)7-9-11-12-10-7/h1-3H,8H2,(H,9,10,11,12)
InChI Key:
SDDIMKLGAFMEFG-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1c1nnn[nH]1)[N+](=O)[O-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.165g/mol
Monoisotopic Mass:
206.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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