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89150-31-2 | Oxazole, 5-(bromomethyl)-4-(4-fluorophenyl)-2-methyl-
CAS No: 89150-31-2 Catalog No: AG003WSQ MDL No:
Product Description
Catalog Number:
AG003WSQ
Chemical Name:
Oxazole, 5-(bromomethyl)-4-(4-fluorophenyl)-2-methyl-
CAS Number:
89150-31-2
Molecular Formula:
C11H9BrFNO
Molecular Weight:
270.0977
IUPAC Name:
5-(bromomethyl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole
InChI:
InChI=1S/C11H9BrFNO/c1-7-14-11(10(6-12)15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3
InChI Key:
NNCBPHBXNPYCEA-UHFFFAOYSA-N
SMILES:
BrCc1oc(nc1c1ccc(cc1)F)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.101g/mol
Monoisotopic Mass:
268.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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