AG000E6L

117358-51-7 | Benzene, 1,3-difluoro-5-methyl-

AG000E6L

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CAS Number	117358-51-7
Catalog Number	AG000E6L(AGN-PC-0KKYTE)
Chemical Name	Benzene, 1,3-difluoro-5-methyl-
IUPAC Name	1,3-difluoro-5-methylbenzene
InChI	InChI=1S/C7H6F2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChI Key	YISYUYYETHYYMD-UHFFFAOYSA-N
MDL Number	MFCD00797323
Molecular Formula	C7H6F2
Molecular Weight	128.1193
SMILES	Cc1cc(F)cc(c1)F
Synonyms	3,5-Difluorotoluene, 117358-51-7, 1,3-difluoro-5-methylbenzene, Benzene, 1,3-difluoro-5-methyl-, 1,3-difluoro-5-methyl-benzene, PubChem1616, AC1MCT1T, SCHEMBL91512, KSC492S7H, ACMC-2099u4, TPC-I134, CTK3J2973, KS-00000EXB, DTXSID30380867, YISYUYYETHYYMD-UHFFFAOYSA-N, ACT00769, ZINC2569465, ANW-17018, BBL104152, MFCD00797323, SBB085712, STL557966, AKOS006228187, AC-7438, AM61306, AN-8991, AS02072, CS-W013474, LF10260, QC-7591, RP19775, RTR-003090, VZ25783, AJ-41725, AK-53772, BC211658, BR-53772, PS-11938, S516, SC-53777, SY020678, AB0018665, DB-023701, ST2402989, TL8000487, TR-003090, FT-0655397, MFCD00797323 (98%), A-5226, 358D517, I01-3056, J-511336, 3,5-Difluorotolune, 3,5-DIFLUORO TOLUENE, 35-Difluorotoluene - 5G 5g, C7H6F2, ACN-056058, CID2778329,

Complexity	82.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.044g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.122g/mol
Monoisotopic Mass	128.044g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number