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823189-12-4 | Benzene, 1-(1-azidoethyl)-3-methyl-
CAS No: 823189-12-4 Catalog No: AG004ZJH MDL No:
Product Description
Catalog Number:
AG004ZJH
Chemical Name:
Benzene, 1-(1-azidoethyl)-3-methyl-
CAS Number:
823189-12-4
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
IUPAC Name:
1-(1-azidoethyl)-3-methylbenzene
InChI:
InChI=1S/C9H11N3/c1-7-4-3-5-9(6-7)8(2)11-12-10/h3-6,8H,1-2H3
InChI Key:
VVDUDWWSPRTIOQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(c1cccc(c1)C)C
Properties
Complexity:
184
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:
2
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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