AG0013H0

137521-81-4 | Benzoic acid, 3-chloro-4-fluoro-, ethyl ester

AG0013H0

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CAS Number	137521-81-4
Catalog Number	AG0013H0(AGN-PC-01LMCO)
Chemical Name	Benzoic acid, 3-chloro-4-fluoro-, ethyl ester
IUPAC Name	ethyl 3-chloro-4-fluorobenzoate
InChI	InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3
InChI Key	NYURFOITSAPYLU-UHFFFAOYSA-N
MDL Number	MFCD06204341
Molecular Formula	C9H8ClFO2
Molecular Weight	202.6100
SMILES	ClC=1C=C(C(=O)OCC)C=CC1F
Synonyms	Ethyl 3-chloro-4-fluorobenzoate, 137521-81-4, Benzoic acid, 3-chloro-4-fluoro-, ethyl ester, 3-Chloro-4-fluoro-benzoic acid ethyl ester, ACMC-20mwo7, SCHEMBL1146528, RARECHEM AL BI 0222, CTK0F3520, DTXSID50589911, NYURFOITSAPYLU-UHFFFAOYSA-N, MFCD06204341, SBB093004, ZINC20168686, AKOS000299992, AS02968, PS-8179, QC-5503, KS-00000Z81, AJ-76226, AK120791, BC653645, SC-41945, SY043369, AB0031034, 4CH-022170, BB 0244802, FT-0759890, ST24046948, X3357, MFCD06204341 (95%), 3-CHLORO-4-FLUOROBENZOIC ACID ETHYL ESTER, C9H8ClFO2, Ethyl3-chloro-4-fluorobenzoate, ACN-056560,

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	3

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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