AG002D18

2008-04-0 | Benzoxazole, 2-(trifluoromethyl)-

AG002D18

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CAS Number	2008-04-0
Catalog Number	AG002D18(AGN-PC-00LTOL)
Chemical Name	Benzoxazole, 2-(trifluoromethyl)-
IUPAC Name	2-(trifluoromethyl)-1,3-benzoxazole
InChI	InChI=1S/C8H4F3NO/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
InChI Key	PXCLUIRANQLJTI-UHFFFAOYSA-N
MDL Number	MFCD00480774
Molecular Formula	C8H4F3NO
Molecular Weight	187.1187
SMILES	FC(F)(F)C1=NC2=C(O1)C=CC=C2
Synonyms	2-(Trifluoromethyl)benzo[d]oxazole, 2008-04-0, 2-(trifluoromethyl)-1,3-benzoxazole, 2-TRIFLUOROMETHYLBENZOXAZOLE, AK-39688, 2-(Trifluoromethyl)benzoxazole, SCHEMBL1553499, CTK8C4596, KS-00000MHW, DTXSID30534166, Benzoxazole, 2-(trifluoromethyl)-, ANW-72431, FCH834169, MFCD00480774, ZINC21981625, AKOS006240703, ACM2008040, FS-3719, MP-0649, AJ-78866, AN-50252, CJ-16990, AB0060268, AX8063680, ST2416281, TC-161176, 4CH-014728, Z4379, 008T040, C8H4F3NO,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.121g/mol
Monoisotopic Mass	187.024g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number