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820241-12-1 | 6-Benzoxazolemethanol, 2-[4-chloro-3-(trifluoromethyl)phenyl]-
CAS No: 820241-12-1 Catalog No: AG004Y6C MDL No:
Product Description
Catalog Number:
AG004Y6C
Chemical Name:
6-Benzoxazolemethanol, 2-[4-chloro-3-(trifluoromethyl)phenyl]-
CAS Number:
820241-12-1
Molecular Formula:
C15H9ClF3NO2
Molecular Weight:
327.6857
IUPAC Name:
[2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-6-yl]methanol
InChI:
InChI=1S/C15H9ClF3NO2/c16-11-3-2-9(6-10(11)15(17,18)19)14-20-12-4-1-8(7-21)5-13(12)22-14/h1-6,21H,7H2
InChI Key:
RDXORKWPWSCIHD-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)oc(n2)c1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.027g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.687g/mol
Monoisotopic Mass:
327.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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