AG002JPV

20849-78-9 | Benzoic acid, 4-(2-chloroethyl)-

AG002JPV

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CAS Number	20849-78-9
Catalog Number	AG002JPV(AGN-PC-0JLXLU)
Chemical Name	Benzoic acid, 4-(2-chloroethyl)-
EC Number	244-080-7
IUPAC Name	4-(2-chloroethyl)benzoic acid
InChI	InChI=1S/C9H9ClO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key	OOAPBGPLZAFZSO-UHFFFAOYSA-N
MDL Number	MFCD00013995
Molecular Formula	C9H9ClO2
Molecular Weight	184.6196
SMILES	OC(C1=CC=C(CCCl)C=C1)=O
Synonyms	4-(2-Chloroethyl)benzoic acid, 20849-78-9, Benzoic acid, 4-(2-chloroethyl)-, MFCD00013995, EINECS 244-080-7, ACMC-1CKLH, AC1L3GBR, 4-carboxyphenethyl chloride, p-(b-Chloroethyl)benzoic acid, SCHEMBL632555, 4-(2-chloro-ethyl)benzoic acid, CTK4E5295, DTXSID70174964, OOAPBGPLZAFZSO-UHFFFAOYSA-N, 4-(2-chloro-ethyl)-benzoic acid, Benzoic acid,4-(2-chloroethyl)-, ZINC2560458, 1-(4-carboxyphenyl)-2-chloroethane, AKOS027320140, p-(beta-CHLOROETHYL)BENZOIC ACID, MCULE-1898792260, RP24489, 4-(2-chloroethyl)benzenecarboxylic acid, AS-19425, 4-(2-Chloroethyl)benzoic acid, AldrichCPR, DB-045406, TC-169398, FT-0616527, ST50827780, X8063, A-8502, I14-61827, 4- BENZOICACID, C9H9ClO2, CID88712,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.619g/mol
Monoisotopic Mass	184.029g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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

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