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823189-09-9 | Benzene, 1-(2-azidoethyl)-3-methyl-
CAS No: 823189-09-9 Catalog No: AG004ZJJ MDL No:
Product Description
Catalog Number:
AG004ZJJ
Chemical Name:
Benzene, 1-(2-azidoethyl)-3-methyl-
CAS Number:
823189-09-9
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
1-(2-azidoethyl)-3-methylbenzene
InChI:
InChI=1S/C9H11N3/c1-8-3-2-4-9(7-8)5-6-11-12-10/h2-4,7H,5-6H2,1H3
InChI Key:
RMAJNZFBKKJLJH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCc1cccc(c1)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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