AG00DBO3

4619-18-5 | 4-(4-Chlorophenyl)butanic acid

AG00DBO3

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CAS Number	4619-18-5
Catalog Number	AG00DBO3(AGN-PC-0JNVM1)
Chemical Name	4-(4-Chlorophenyl)butanic acid
IUPAC Name	4-(4-chlorophenyl)butanoic acid
InChI	InChI=1S/C10H11ClO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChI Key	YJMDORBRISAZSC-UHFFFAOYSA-N
MDL Number	MFCD06810494
Molecular Formula	C10H11ClO2
Molecular Weight	198.6461
NSC Number	90008
SMILES	O=C(O)CCCC1=CC=C(Cl)C=C1
Synonyms	4619-18-5, 4-(4-Chlorophenyl)butyric acid, 4-(4-Chlorophenyl)butanoic acid, 4-(4-Chlorophenyl)butanic acid, benzenebutanoic acid, 4-chloro-, 4-(4-Chloro-phenyl)-butyric acid, Benzenebutanoic acid,4-chloro-, YJMDORBRISAZSC-UHFFFAOYSA-N, NSC90008, AC1L61QA, AC1Q3NT5, AC1Q75DP, NCIOpen2_001379, SCHEMBL1570239, 4-(p-chlorophenyl)butanoic acid, CTK4I9222, DTXSID40293499, 3-(4-chlorobenzyl) propionic acid, BCP10717, KS-00000CZ7, ZINC1575712, 4-(4-Chlorophenyl)-n-butyric acid, 4-(4-Chlorophenyl)butanoic acid #, ANW-45124, MFCD06810494, NSC-90008, AKOS000345168, AN-3918, CC-1039, MCULE-8089882538, SS-3645, AJ-27280, AK-38450, BC653948, SY033190, AB0025010, AB1006382, DB-070718, ST2405379, TC-133869, TL8003199, FT-0746376, W6391, EN300-43660, MFCD06810494 (95%), Y-2645, 619C185, I14-10511, Z449368994, 4- butanicacid, 4-(4-chlorophenyl)butyricacid, C10H11ClO2, AR-1H8475, CID259740, ACN-038127, 4-(4-Chlorophenyl)butanoic acid, 98% - 10G 10g, 1-(5-chloro-1H-benzimidazol-2-yl)-N-methylmethanamine, 5435-93-8,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.045g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.646g/mol
Monoisotopic Mass	198.045g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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