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14423-89-3 | Isoxazole, 5-(bromomethyl)-3-methoxy-
CAS No: 14423-89-3 Catalog No: AG001J5N MDL No:
Product Description
Catalog Number:
AG001J5N
Chemical Name:
Isoxazole, 5-(bromomethyl)-3-methoxy-
CAS Number:
14423-89-3
Molecular Formula:
C5H6BrNO2
Molecular Weight:
192.0106
IUPAC Name:
5-(bromomethyl)-3-methoxy-1,2-oxazole
InChI:
InChI=1S/C5H6BrNO2/c1-8-5-2-4(3-6)9-7-5/h2H,3H2,1H3
InChI Key:
IKWBIWKIWRWLFN-UHFFFAOYSA-N
SMILES:
COc1noc(c1)CBr
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.958g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.012g/mol
Monoisotopic Mass:
190.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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