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85862-79-9 | Benzene, 1-azido-2,4-dimethoxy-
CAS No: 85862-79-9 Catalog No: AG004XDS MDL No:
Product Description
Catalog Number:
AG004XDS
Chemical Name:
Benzene, 1-azido-2,4-dimethoxy-
CAS Number:
85862-79-9
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
IUPAC Name:
1-azido-2,4-dimethoxybenzene
InChI:
InChI=1S/C8H9N3O2/c1-12-6-3-4-7(10-11-9)8(5-6)13-2/h3-5H,1-2H3
InChI Key:
DQYUSPMKUPJQDG-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1OC)OC
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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