AG00ECQ8

64248-60-8 | 2,6-Difluorobenzotrifluoride

AG00ECQ8

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CAS Number	64248-60-8
Catalog Number	AG00ECQ8(AGN-PC-00PY13)
Chemical Name	2,6-Difluorobenzotrifluoride
IUPAC Name	1,3-difluoro-2-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F5/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H
InChI Key	NKKFHDNJRMWBFS-UHFFFAOYSA-N
MDL Number	MFCD03412213
Molecular Formula	C7H3F5
Molecular Weight	182.0907
SMILES	FC(C1=C(F)C=CC=C1F)(F)F
Synonyms	2,6-Difluorobenzotrifluoride, 64248-60-8, 1,3-difluoro-2-(trifluoromethyl)benzene, 1,3-Difluoro-2-trifluoromethyl-benzene, Benzene, 1,3-difluoro-2-(trifluoromethyl)-, MFCD03412213, W-203386, PubChem4866, SCHEMBL1541726, CTK7C2171, DTXSID70575750, NKKFHDNJRMWBFS-UHFFFAOYSA-N, ACT13109, ZINC2529887, ZX-AP004602, ANW-42879, FCH922547, PC6200, SBB059693, 1,3-difluoro-2-trifluoromethylbenzene, AKOS005255404, AM62058, AS01752, CM10057, LS10770, MCULE-4787676812, RP24296, AJ-38459, AN-12260, AS-18033, BC250982, SC-49703, 1,3-Difluoro-2-(Trifluoromethyl)-Benzene, 2,6-DIFLUORO-TRIFLUOROMETHYLBENZENE, AB0068227, AX8042239, TL8004542, TR-022035, A8817, FT-0648111, ST24036798, ST51044600, V7085, C-6038, I01-4918, I01-6813, C7H3F5, ACN-055956, 38336-04-8,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.093g/mol
Monoisotopic Mass	182.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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