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Home > Nitro Compounds > 828922-84-5
828922-84-5 | Benzene, 1-(3-azido-1-propenyl)-2-nitro-
CAS No: 828922-84-5 Catalog No: AG004VTV MDL No:
Product Description
Catalog Number:
AG004VTV
Chemical Name:
Benzene, 1-(3-azido-1-propenyl)-2-nitro-
CAS Number:
828922-84-5
Molecular Formula:
C9H8N4O2
Molecular Weight:
204.1854
IUPAC Name:
1-(3-azidoprop-1-enyl)-2-nitrobenzene
InChI:
InChI=1S/C9H8N4O2/c10-12-11-7-3-5-8-4-1-2-6-9(8)13(14)15/h1-6H,7H2
InChI Key:
FHJCJNVVAJSMGE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC=Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.189g/mol
Monoisotopic Mass:
204.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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