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187812-07-3 | 5-Isoxazolol, 3-(4-bromophenyl)-4,5-dihydro-5-(trifluoromethyl)-
CAS No: 187812-07-3 Catalog No: AG002GIH MDL No:
Product Description
Catalog Number:
AG002GIH
Chemical Name:
5-Isoxazolol, 3-(4-bromophenyl)-4,5-dihydro-5-(trifluoromethyl)-
CAS Number:
187812-07-3
Molecular Formula:
C10H7BrF3NO2
Molecular Weight:
310.0673
IUPAC Name:
3-(4-bromophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
InChI:
InChI=1S/C10H7BrF3NO2/c11-7-3-1-6(2-4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2
InChI Key:
UTIXPPRXNKFAPZ-UHFFFAOYSA-N
SMILES:
FC(C1(O)ON=C(C1)c1ccc(cc1)Br)(F)F
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.961g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.07g/mol
Monoisotopic Mass:
308.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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