AG000D9S

116850-28-3 | Benzene, 2-chloro-1-fluoro-3-methyl-

AG000D9S

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CAS Number	116850-28-3
Catalog Number	AG000D9S(AGN-PC-000RQ0)
Chemical Name	Benzene, 2-chloro-1-fluoro-3-methyl-
IUPAC Name	2-chloro-1-fluoro-3-methylbenzene
InChI	InChI=1S/C7H6ClF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
InChI Key	YSCFYJSLWLBAND-UHFFFAOYSA-N
MDL Number	MFCD08445246
Molecular Formula	C7H6ClF
Molecular Weight	144.5739
SMILES	ClC1=C(C=CC=C1F)C
Synonyms	2-Chloro-3-fluorotoluene, 116850-28-3, 2-chloro-1-fluoro-3-methylbenzene, Benzene, 2-chloro-1-fluoro-3-methyl-, ACMC-20dyuy, PubChem8351, KSC493I3B, SCHEMBL2263132, CTK3J3430, KS-00000YWY, DTXSID60557707, YSCFYJSLWLBAND-UHFFFAOYSA-N, 1-methyl-2-chloro-3-fluorobenzene, MFCD08445246, SBB086376, ZINC49588098, AKOS006346046, Benzene,2-chloro-1-fluoro-3-methyl-, AM62203, QC-7491, AS-30458, BR-53752, CJ-20619, SC-20372, SY026933, AB0031421, AJ-111308, RT-001466, TL8000481, FT-0655857, X4511, MFCD08445246 (95%), S-2641, I01-6788, J-003476, F0001-0290, a-chloro-m-fluorotoluene, C7H6ClF, ACN-056024, A2409, 85089-31-2,

Complexity	94.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.014g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.573g/mol
Monoisotopic Mass	144.014g/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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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