AG0025JD

177787-26-7 | Benzoyl chloride, 3,4,5-trifluoro-

AG0025JD

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CAS Number	177787-26-7
Catalog Number	AG0025JD(AGN-PC-0KKXY0)
Chemical Name	Benzoyl chloride, 3,4,5-trifluoro-
IUPAC Name	3,4,5-trifluorobenzoyl chloride
InChI	InChI=1S/C7H2ClF3O/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2H
InChI Key	YRUNCQNKZIQTEO-UHFFFAOYSA-N
MDL Number	MFCD00083526
Molecular Formula	C7H2ClF3O
Molecular Weight	194.5384
SMILES	ClC(=O)c1cc(F)c(c(c1)F)F
Synonyms	3,4,5-Trifluorobenzoyl chloride, 177787-26-7, 3,4,5-trifluorobenzoylchloride, Benzoyl chloride,3,4,5-trifluoro-, MFCD00083526, 17787-26-7, ACMC-20ange, AC1MCREH, PubChem20778, SCHEMBL193908, CTK4D6601, KS-00000USD, YRUNCQNKZIQTEO-UHFFFAOYSA-N, JRD-0319, ZINC2575052, SBB091796, Benzoyl chloride, 3,4,5-trifluoro-, 3,4,5-Trifluorobenzoic acid chloride, AKOS009159221, 3,4,5-tris(fluoranyl)benzoyl chloride, AS00056, 3,4,5-Trifluorobenzoyl chloride, 97%, PS-10696, TR-008129, FT-0614142, FT-0693210, J3.588.010K, A812297, J-011327, I01-14965, ZINC02575052, CID2777023, benzoyl chloride, 3,4,5-trifluoro- (9ci),

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.975g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.537g/mol
Monoisotopic Mass	193.975g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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