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Home > Nitro Compounds > 70079-91-3
70079-91-3 | Benzene, 1-(2-azidoethyl)-4-nitro-
CAS No: 70079-91-3 Catalog No: AG005R6M MDL No:
Product Description
Catalog Number:
AG005R6M
Chemical Name:
Benzene, 1-(2-azidoethyl)-4-nitro-
CAS Number:
70079-91-3
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
IUPAC Name:
1-(2-azidoethyl)-4-nitrobenzene
InChI:
InChI=1S/C8H8N4O2/c9-11-10-6-5-7-1-3-8(4-2-7)12(13)14/h1-4H,5-6H2
InChI Key:
CENQBIUVODNYBA-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.178g/mol
Monoisotopic Mass:
192.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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