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132353-41-4 | Oxazole, 2-(4-bromobutyl)-5-ethoxy-
CAS No: 132353-41-4 Catalog No: AG0010LF MDL No:
Product Description
Catalog Number:
AG0010LF
Chemical Name:
Oxazole, 2-(4-bromobutyl)-5-ethoxy-
CAS Number:
132353-41-4
Molecular Formula:
C9H14BrNO2
Molecular Weight:
248.1170
IUPAC Name:
2-(4-bromobutyl)-5-ethoxy-1,3-oxazole
InChI:
InChI=1S/C9H14BrNO2/c1-2-12-9-7-11-8(13-9)5-3-4-6-10/h7H,2-6H2,1H3
InChI Key:
DLHRTZUGDSLJEZ-UHFFFAOYSA-N
SMILES:
BrCCCCc1ncc(o1)OCC
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.12g/mol
Monoisotopic Mass:
247.021g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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