AG0051EX

80789-69-1 | 1-(4-Chlorophenyl)cyclopentanecarboxylic acid

AG0051EX

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CAS Number	80789-69-1
Catalog Number	AG0051EX(AGN-PC-0JM2I2)
Chemical Name	1-(4-Chlorophenyl)cyclopentanecarboxylic acid
EC Number	279-552-1
IUPAC Name	1-(4-chlorophenyl)cyclopentane-1-carboxylic acid
InChI	InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
InChI Key	QJNFJEMGWIQMJT-UHFFFAOYSA-N
MDL Number	MFCD00001373
Molecular Formula	C12H13ClO2
Molecular Weight	224.6834
NSC Number	123457
SMILES	OC(=O)C1(CCCC1)C1=CC=C(Cl)C=C1
Synonyms	1-(4-Chlorophenyl)cyclopentanecarboxylic acid, 80789-69-1, 1-(4-Chlorophenyl)-1-cyclopentanecarboxylic acid, 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid, Cyclopentanecarboxylic acid, 1-(4-chlorophenyl)-, 1-(4-Chlorophenyl)-1-cyclopentanecarboxylic acid, 98%, EINECS 279-552-1, MFCD00001373, asischem d50961, AC1Q5UJO, timtec-bb sbb000649, ACMC-209pk2, AC1L3YJ9, AC1Q71ZQ, akos bbs-00006484, Oprea1_129234, labotest-bb lt00453384, SCHEMBL503762, CTK5E8153, KS-00003TMA, DTXSID30230636, QJNFJEMGWIQMJT-UHFFFAOYSA-N, ZINC119473, ALBB-010358, 2564AC, ANW-37392, BBL001760, KM2043, NSC123457, SBB000649, STK179588, AKOS000109357, MCULE-8030107149, NSC-123457, NCGC00342769-01, AJ-11588, AN-36353, TS-03205, AB0065138, DB-031507, ST2415007, TC-126137, BB 0245007, EU-0000719, FT-0605681, ST45029426, 1-(4-chloro phenyl)cyclopentanecarboxylic acid, 1-(4-chloro-phenyl)-cyclopentylcarboxylic acid, 1-(4-chlorophenyl) cyclopentanecarboxylic acid, AB01334231-02, 1-(4-Chloro-phenyl)-cyclopentanecarboxylic acid, SR-01000150107, I04-4844, SR-01000150107-1, 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid,98%, F0921-0057, Z168883354, InChI=1/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15, C12H13ClO2, C12-H13-Cl-O2, KST-1B8897, CID97447, AR-1B1941, 1- -1-CYCLOPENTANECARBOXYLICACID, C2912, 85286-38-0,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.06g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.684g/mol
Monoisotopic Mass	224.06g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number