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114492-06-7 | Benzene, 1-(3-azido-3-methoxypropyl)-4-methoxy-
CAS No: 114492-06-7 Catalog No: AG000EJB MDL No:
Product Description
Catalog Number:
AG000EJB
Chemical Name:
Benzene, 1-(3-azido-3-methoxypropyl)-4-methoxy-
CAS Number:
114492-06-7
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
IUPAC Name:
1-(3-azido-3-methoxypropyl)-4-methoxybenzene
InChI:
InChI=1S/C11H15N3O2/c1-15-10-6-3-9(4-7-10)5-8-11(16-2)13-14-12/h3-4,6-7,11H,5,8H2,1-2H3
InChI Key:
ZVSRAOPOHMKTOY-UHFFFAOYSA-N
SMILES:
COC(N=[N+]=[N-])CCc1ccc(cc1)OC
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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