AG003BA5

3984-34-7 | 4-(4-Chlorophenyl)-4-oxobutanoic acid

AG003BA5

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CAS Number	3984-34-7
Catalog Number	AG003BA5(AGN-PC-0RKZO6)
Chemical Name	4-(4-Chlorophenyl)-4-oxobutanoic acid
EC Number	223-627-3
IUPAC Name	4-(4-chlorophenyl)-4-oxobutanoic acid
InChI	InChI=1S/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key	AHVASTJJVAYFPY-UHFFFAOYSA-N
MDL Number	MFCD00002794
Molecular Formula	C10H9ClO3
Molecular Weight	212.6297
NSC Number	5137
SMILES	O=C(O)CCC(C1=CC=C(Cl)C=C1)=O
Synonyms	3-(4-Chlorobenzoyl)propionic acid, 3984-34-7, 4-(4-Chlorophenyl)-4-oxobutanoic acid, NSC5137, 4-(4-Chloro-phenyl)-4-oxo-butyric acid, AHVASTJJVAYFPY-UHFFFAOYSA-N, NSC-5137, MFCD00002794, 3-(P-CHLOROBENZOYL)PROPIONIC ACID, EINECS 223-627-3, 4-(4-Chlorophenyl)-4-oxobutanoicacid, AI3-07203, AC1L2TEY, Maybridge1_006214, NCIStruc1_000312, NCIStruc2_000239, ASISCHEM D51605, Oprea1_859574, KSC226E2B, SCHEMBL392858, ACMC-209j89, AC1Q5E32, AC1Q754Q, AKOS BB-9559, CHEMBL1741742, 3-p-chlorobenzoyl-propionic acid, CTK1C6220, HMS559C10, TIMTEC-BB SBB003421, ZINC56552, DTXSID30192902, NCI5137, OTAVA-BB 1043518, AKOS 92467, 3-(4-chlorobenzoyl)Propanoic acid, 3-(p-chlorobenzoyl)-propanoic acid, ACT03798, KS-000010DB, 3-(4-chloro-benzoyl)propanoic acid, 3-(4-chloro-benzoyl)propionic acid, 3-(4-chlorobenzoyl) propanoic acid, 3-(4-chlorobenzoyl) propionic acid, 3-(4-chlorobenzoyl)-propionic acid, 5246AB, ANW-29191, BBL008658, CCG-38028, HTS028142, NCGC00013054, SBB003421, STK208513, 4-(4-chlorophenyl)4-oxobutanoic acid, AKOS000119337, beta-(p-Chlorobenzoyl)-propionic Acid, .beta.-[p-Chlorobenzoyl]propionic acid, 4-(4-chlorophenyl)-4-oxobutyric acid, AS02686, CC-1262, MCULE-8379277055, 4-(4-chlorophenyl)-4-oxo-butyric acid, NCGC00013054-02, NCGC00013054-03, NCGC00096178-01, 3-(4-Chlorobenzoyl)propionic acid, 96%, 3-(4-Chlorobenzoyl)propionic acid, 98%, AC-17842, AJ-09305, NCI60_004245, SC-52657, 4-(4-Chlorophenyl)-4-oxobutanoic acid #, Benzenebutanoic acid, 4-chloro-gamma-oxo-, AB0063179, TR-054043, A6647, BB 0218557, Benzenebutanoic acid, 4-chloro-.gamma.-oxo-, C1270, FT-0613647, ST45028991, T7789, AZ0001-0151, AB00640109-03, SR-01000597223, I01-7191, SR-01000597223-1, F0850-6842, 4-(4-Chlorophenyl)-4-oxobutanoic Acid (3-(4-Chlorobenzoyl)propionic Acid), 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1H-pyrrol-1-yl]-N-(4-fluorobenzyl)acetamide, InChI=1/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14, Parachlor, C10H9ClO3, C10-H9-Cl-O3, CID77604, AR-1F6265, AR-1F6266, 3-(4-Chlorobenzoyl)propionic acid, 96% - 100G 100g, 42034-56-0, 42036-65-7,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.024g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.629g/mol
Monoisotopic Mass	212.024g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number