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1803589-64-1 | 5-(azidomethyl)-4-methyl-2-(propan-2-yl)-1,3-oxazole
CAS No: 1803589-64-1 Catalog No: AG01BC9J MDL No:MFCD28954118
Product Description
Catalog Number:
AG01BC9J
Chemical Name:
5-(azidomethyl)-4-methyl-2-(propan-2-yl)-1,3-oxazole
CAS Number:
1803589-64-1
Molecular Formula:
C8H12N4O
Molecular Weight:
180.2071
MDL Number:
MFCD28954118
IUPAC Name:
5-(azidomethyl)-4-methyl-2-propan-2-yl-1,3-oxazole
InChI:
InChI=1S/C8H12N4O/c1-5(2)8-11-6(3)7(13-8)4-10-12-9/h5H,4H2,1-3H3
InChI Key:
QYTUVFVNDPQPOU-UHFFFAOYSA-N
SMILES:
CC(c1oc(c(n1)C)CN=[N+]=[N-])C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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