AG0028ZB

203573-08-4 | Benzoic acid, 4-chloro-3-fluoro-, ethyl ester

AG0028ZB

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CAS Number	203573-08-4
Catalog Number	AG0028ZB(AGN-PC-04Z0ZX)
Chemical Name	Benzoic acid, 4-chloro-3-fluoro-, ethyl ester
IUPAC Name	ethyl 4-chloro-3-fluorobenzoate
InChI	InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3
InChI Key	DCYPLEKPDBBLSM-UHFFFAOYSA-N
MDL Number	MFCD06204445
Molecular Formula	C9H8ClFO2
Molecular Weight	202.6100
SMILES	CCOC(=O)C1=CC(F)=C(Cl)C=C1
Synonyms	Ethyl 4-chloro-3-fluorobenzoate, 203573-08-4, Benzoic acid, 4-chloro-3-fluoro-, ethyl ester, 4-Chloro-3-fluorobenzoic acid ethyl ester, SCHEMBL6903596, CTK8C4157, DTXSID10648654, DCYPLEKPDBBLSM-UHFFFAOYSA-N, 0434AB, ANW-71147, MFCD06204445, ZINC21304796, AKOS016007963, DS-4262, AJ-78562, AK104624, TC-159892, CS-0042795, TL800742043, C9H8ClFO2, Ethyl4-chloro-3-fluorobenzoate,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.609g/mol
Monoisotopic Mass	202.02g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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