AG003Q7H

1128-76-3 | Ethyl 3-chlorobenzoate

AG003Q7H

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CAS Number	1128-76-3
Catalog Number	AG003Q7H(AGN-PC-0JL9XD)
Chemical Name	Ethyl 3-chlorobenzoate
EC Number	214-441-3
IUPAC Name	ethyl 3-chlorobenzoate
InChI	InChI=1S/C9H9ClO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChI Key	LVFRSNCBCHABAM-UHFFFAOYSA-N
MDL Number	MFCD00013634
Molecular Formula	C9H9ClO2
Molecular Weight	184.6196
NSC Number	67339
SMILES	O=C(OCC)C1=CC=CC(Cl)=C1
Synonyms	Ethyl 3-chlorobenzoate, 1128-76-3, 3-Chlorobenzoic Acid Ethyl Ester, Benzoic acid, 3-chloro-, ethyl ester, Ethyl m-chlorobenzoate, Benzoic acid, m-chloro-, ethyl ester, AI3-11590, 3-chloro-benzoic acid ethyl ester, LVFRSNCBCHABAM-UHFFFAOYSA-N, MFCD00013634, ETHYL3-CHLOROBENZOATE, EINECS 214-441-3, PubChem3704, AC1L2EUS, ACMC-1BT4U, KSC495M6F, SCHEMBL197307, AC1Q347Y, RARECHEM AL BI 0056, CTK3J5662, KS-00000BPD, DTXSID10150181, 3-Chlorobenzoic acid, ethyl ester, NSC67339, ZINC1694398, ANW-16538, Benzoic acid,3-chloro-, ethyl ester, NSC-67339, SBB064614, WT1859, 1128-76-3 Ethyl 3-chlorobenzoate, AKOS004911137, AS02901, CS-W001093, MCULE-7118019823, RP24494, RTC-010431, TRA0043051, AJ-30245, AK-51253, AN-25357, BR-51253, CJ-06571, DS-15798, SY021823, AB0030039, TC-010431, C1737, FT-0615466, ST24030560, ST50407830, X2223, A24230, S-1363, MFCD00013634 (97+%), I01-5259, J-520867, Benzoic acid, ethyl ester, C9H9ClO2, C9-H9-Cl-O2, CID70785,

Complexity	159
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	0
Isotope Atom Count	0
Molecular Weight	184.619g/mol
Monoisotopic Mass	184.029g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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