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119162-55-9 | 5-Isoxazolamine, 3-[2-(trifluoromethyl)phenyl]-
CAS No: 119162-55-9 Catalog No: AG000I9V MDL No:MFCD07383045
Product Description
Catalog Number:
AG000I9V
Chemical Name:
5-Isoxazolamine, 3-[2-(trifluoromethyl)phenyl]-
CAS Number:
119162-55-9
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
MDL Number:
MFCD07383045
IUPAC Name:
3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
InChI:
InChI=1S/C10H7F3N2O/c11-10(12,13)7-4-2-1-3-6(7)8-5-9(14)16-15-8/h1-5H,14H2
InChI Key:
LZKUQQJFMRSXPU-UHFFFAOYSA-N
SMILES:
Nc1onc(c1)c1ccccc1C(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.174g/mol
Monoisotopic Mass:
228.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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