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1192019-08-1 | Benzoxazole, 2-(2-chloro-4-pyridinyl)-5-(trifluoromethyl)-
CAS No: 1192019-08-1 Catalog No: AG000ID5 MDL No:
Product Description
Catalog Number:
AG000ID5
Chemical Name:
Benzoxazole, 2-(2-chloro-4-pyridinyl)-5-(trifluoromethyl)-
CAS Number:
1192019-08-1
Molecular Formula:
C13H6ClF3N2O
Molecular Weight:
298.6477
IUPAC Name:
2-(2-chloropyridin-4-yl)-5-(trifluoromethyl)-1,3-benzoxazole
InChI:
InChI=1S/C13H6ClF3N2O/c14-11-5-7(3-4-18-11)12-19-9-6-8(13(15,16)17)1-2-10(9)20-12/h1-6H
InChI Key:
QFVAPCDYKKHYKG-UHFFFAOYSA-N
SMILES:
Clc1nccc(c1)c1nc2c(o1)ccc(c2)C(F)(F)F
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.649g/mol
Monoisotopic Mass:
298.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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