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148859-40-9 | 2-(azidomethyl)-1,3-benzoxazole
CAS No: 148859-40-9 Catalog No: AG01A2GG MDL No:MFCD14652408
Product Description
Catalog Number:
AG01A2GG
Chemical Name:
2-(azidomethyl)-1,3-benzoxazole
CAS Number:
148859-40-9
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
MDL Number:
MFCD14652408
IUPAC Name:
2-(azidomethyl)-1,3-benzoxazole
InChI:
InChI=1S/C8H6N4O/c9-12-10-5-8-11-6-3-1-2-4-7(6)13-8/h1-4H,5H2
InChI Key:
UIYTUCOKYXTMBP-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCc1nc2c(o1)cccc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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