AG003L5E

3874-54-2 | 4-Chloro-4-Fluorobutyrophenone

AG003L5E

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CAS Number	3874-54-2
Catalog Number	AG003L5E(AGN-PC-0JKEV5)
Chemical Name	4-Chloro-4-Fluorobutyrophenone
EC Number	223-395-3
IUPAC Name	4-chloro-1-(4-fluorophenyl)butan-1-one
InChI	InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
InChI Key	HXAOUYGZEOZTJO-UHFFFAOYSA-N
MDL Number	MFCD00001007
Molecular Formula	C10H10ClFO
Molecular Weight	200.6372
NSC Number	87082
SMILES	C(=O)(CCCCl)c1ccc(cc1)F
UNII	FVL03C7JRR
Synonyms	3874-54-2, 4-Chloro-4'-fluorobutyrophenone, 4-chloro-1-(4-fluorophenyl)butan-1-one, 3-Chloropropyl 4-fluorophenyl ketone, 3-(4-Fluorobenzoyl)propyl chloride, 4-Fluorobenzoylpropyl chloride, 4-Chloro-p-fluorobutyrophenone, 4-chloro-4-fluorobutyrophenone, 1-Butanone, 4-chloro-1-(4-fluorophenyl)-, 4'-Fluoro-4-chlorobutyrophenone, p-Fluorobenzoylpropyl chloride, p-Fluoro-4-chlorobutyrophenone, 3-Chloro-4'-fluorobutyrophenone, gamma-Chloro-p-fluorobutyrophenone, UNII-FVL03C7JRR, 3-(p-Fluorobenzoyl)propyl chloride, Butyrophenone, 4-chloro-4'-fluoro-, 3-Chloropropyl 4'-fluorophenyl ketone, 4-CHLORO-1-(4-FLUOROPHENYL)-1-BUTANONE, 4-(p-Fluorophenyl)-4-oxobutyl chloride, 4-(4-Fluorophenyl)-4-oxobutyl chloride, .gamma.-Chloro-p-fluorobutyrophenone, MFCD00001007, NSC 87082, FVL03C7JRR, HXAOUYGZEOZTJO-UHFFFAOYSA-N, .gamma.-Chloro-4-fluorobutyrophenone, .omega.-Chloro-p-fluorobutyrophenone, p-Fluoro-.gamma.-chlorobutyrophenone, p-Fluoro-.omega.-chlorobutyrophenone, 4-Chloro-4'-fluorobutyrophenone, 97%, 4-Chloro-1-(4-fluorophenyl)-1-oxobutane, gamma-Chloro-p-fluorobutyrophene, p-Fluoro-gamma-chlorobutyrophenone, gamma-Chloro-4-fluorobutyrophenone, EINECS 223-395-3, ACMC-1APLN, AC1Q4LWH, AC1L2ES2, DSSTox_CID_31518, DSSTox_RID_97403, NCIOpen2_005403, DSSTox_GSID_57729, SCHEMBL318467, 4-Chlor-4'-fluor-butyrophenon, 4-chloro-4'-flurobutyrophenone, Jsp006765, 4-chloro-4'-flourobutyrophenone, CHEMBL3561872, DTXSID3057729, CTK3J0237, HXAOUYGZEOZTJO-UHFFFAOYSA-, 4-chloro-4' -fluorobutyrophenone, 4-chloro-4'-fluoro-butyrophenone, .gamma.-Chloro-p-fluorobutyrophene, omega-Chloro-4-fluorobutyrophenone, p-fluoro-gamma-chloro butyrophenone, KS-000013IY, NSC87082, ZINC1561635, Tox21_113749, .omega.-Chloro-4-fluorobutyrophenone, ANW-28958, BBL009718, NSC-87082, SBB003536, STL141083, 1-chloro-3-(4-fluorobenzoyl)propane, AKOS000120240, gamma-(p-fluorobenzoyl)propyl chloride, 1-chloro-3-(4-fluorobenzoyl)-propane, CM10030, CS-W009108, LS41348, MCULE-4644750035, NE43425, RTR-015610, TRA0084499, VZ26710, 4-oxo-4-(4-fluorophenyl)butyl chloride, NCGC00253619-01, AC-10958, AJ-27055, AK106983, CJ-24544, SC-46594, 1-utanone, 4-hloro-1-(4-luorophenyl)-, CAS-3874-54-2, 1-chloro-3-(p-fluorophenylcarbonyl)propane, TR-015610, 4-chloranyl-1-(4-fluorophenyl)butan-1-one, 4-Chloro-1-(4-fluorophenyl)-1-butanone #, FT-0618100, ST24032768, ST50817425, A824266, SR-01000944706, I01-2675, Q-200454, SR-01000944706-1, InChI=1/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2, 54839-20-2, C10H10ClFO, 4-Chloro-3-methylphenol, C10-H10-Cl-F-O, CID19750, c1294, 4-Chloro-1-(4-Fluoro phenyl) butan-1-one, 41167-07-1,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.637g/mol
Monoisotopic Mass	200.04g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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