AG007Y7Q

153338-23-9 | 1,3-Difluoro-2-(trifluoromethoxy)benzene

AG007Y7Q

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CAS Number	153338-23-9
Catalog Number	AG007Y7Q(AGN-PC-0Q6IUM)
Chemical Name	1,3-Difluoro-2-(trifluoromethoxy)benzene
IUPAC Name	1,3-difluoro-2-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3F5O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H
InChI Key	CETQITNIBDFSTM-UHFFFAOYSA-N
MDL Number	MFCD11226643
Molecular Formula	C7H3F5O
Molecular Weight	198.0901
SMILES	FC(F)(F)OC1=C(F)C=CC=C1F
Synonyms	1,3-DIFLUORO-2-(TRIFLUOROMETHOXY)BENZENE, 153338-23-9, 2,6-Difluoro(trifluoromethoxy)benzene, 2,6-DIFLUORO-(TRIFLUOROMETHOXY)BENZENE, ACMC-1C2ME, KSC494O2T, SCHEMBL8727533, CTK3J4729, DTXSID20598974, KS-00000ZE0, 7692AA, BBL103347, FCH890240, MFCD11226643, STL557157, ZINC22057469, AKOS005255988, AM62298, QC-7449, AJ-80851, AS-30473, CJ-17302, PC501504, AB0060279, AX8246209, RT-002164, 4CH-022172, Benzene,1,3-difluoro-2-(trifluoromethoxy)-, CS-0059223, FT-0666841, ST24036797, C7H3F5O, ACN-056110,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.092g/mol
Monoisotopic Mass	198.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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