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123767-44-2 | Benzene, 1-(azidomethyl)-3-methoxy-
CAS No: 123767-44-2 Catalog No: AG000L1P MDL No:MFCD11637160
Product Description
Catalog Number:
AG000L1P
Chemical Name:
Benzene, 1-(azidomethyl)-3-methoxy-
CAS Number:
123767-44-2
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
MDL Number:
MFCD11637160
IUPAC Name:
1-(azidomethyl)-3-methoxybenzene
InChI:
InChI=1S/C8H9N3O/c1-12-8-4-2-3-7(5-8)6-10-11-9/h2-5H,6H2,1H3
InChI Key:
NGSNSSXJWWLJAX-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCc1cccc(c1)OC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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