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93416-20-7 | 5-Chloro-2-(trifluoromethyl);benzo[d]oxazole
CAS No: 93416-20-7 Catalog No: AG006FY0 MDL No:MFCD18909879
Product Description
Catalog Number:
AG006FY0
Chemical Name:
5-Chloro-2-(trifluoromethyl);benzo[d]oxazole
CAS Number:
93416-20-7
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
MDL Number:
MFCD18909879
IUPAC Name:
5-chloro-2-(trifluoromethyl)-1,3-benzoxazole
InChI:
InChI=1S/C8H3ClF3NO/c9-4-1-2-6-5(3-4)13-7(14-6)8(10,11)12/h1-3H
InChI Key:
UTCNANZHCGNAST-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(o2)C(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.563g/mol
Monoisotopic Mass:
220.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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