AG000E6K

117358-52-8 | Benzene, 1-ethyl-3,5-difluoro-

AG000E6K

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CAS Number	117358-52-8
Catalog Number	AG000E6K(AGN-PC-02S03J)
Chemical Name	Benzene, 1-ethyl-3,5-difluoro-
IUPAC Name	1-ethyl-3,5-difluorobenzene
InChI	InChI=1S/C8H8F2/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2H2,1H3
InChI Key	PFINYKRPUJCMCT-UHFFFAOYSA-N
MDL Number	MFCD10000628
Molecular Formula	C8H8F2
Molecular Weight	142.1459
SMILES	CCc1cc(F)cc(c1)F
Synonyms	1-Ethyl-3,5-difluorobenzene, 117358-52-8, Benzene, 1-ethyl-3,5-difluoro-, 3,5-Difluoroethylbenzene, J-504603, ACMC-1C7PK, 3,5-difluoro-1-ethylbenzene, KSC493S2J, SCHEMBL148110, 1-ethyl-3,5-difluoro-benzene, C8H8F2, 3,5-Difluoroethylbenzene, 97%, Benzene,1-ethyl-3,5-difluoro-, CTK3J3924, DTXSID80605855, 1-ethyl-3,5-bis(fluoranyl)benzene, KS-00000YX2, ANW-52141, FCH880256, MFCD10000628, ZINC55161304, AKOS006305462, AS04513, RP20732, RTC-040226, AN-32915, AS-33138, CJ-20778, AB0034959, AJ-112624, AX8058235, DB-028286, ST2408767, TC-040226, E1229, FT-0654210, X9203, M-8076, 358E528, A803757, I01-2309,

Complexity	93.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.059g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.149g/mol
Monoisotopic Mass	142.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number