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Home > Nitro Compounds > 98550-27-7
98550-27-7 | Benzene, 4-azido-1-methoxy-2-nitro-
CAS No: 98550-27-7 Catalog No: AG005UEW MDL No:
Product Description
Catalog Number:
AG005UEW
Chemical Name:
Benzene, 4-azido-1-methoxy-2-nitro-
CAS Number:
98550-27-7
Molecular Formula:
C7H6N4O3
Molecular Weight:
194.1475
IUPAC Name:
4-azido-1-methoxy-2-nitrobenzene
InChI:
InChI=1S/C7H6N4O3/c1-14-7-3-2-5(9-10-8)4-6(7)11(12)13/h2-4H,1H3
InChI Key:
DJJJDYDOUORWBN-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])OC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.15g/mol
Monoisotopic Mass:
194.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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