AG00DBCR

495405-09-9 | ethyl 3,4,5-trifluorobenzoate

AG00DBCR

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CAS Number	495405-09-9
Catalog Number	AG00DBCR(AGN-PC-07QVK3)
Chemical Name	ethyl 3,4,5-trifluorobenzoate
IUPAC Name	ethyl 3,4,5-trifluorobenzoate
InChI	InChI=1S/C9H7F3O2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3
InChI Key	UWHPRVLGRIWCQQ-UHFFFAOYSA-N
MDL Number	MFCD06204428
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	O=C(OCC)C1=CC(F)=C(F)C(F)=C1
Synonyms	Ethyl 3,4,5-trifluorobenzoate, 495405-09-9, Benzoic acid, 3,4,5-trifluoro-, ethyl ester, SCHEMBL1999331, ACT13218, MFCD06204428, ZINC43503702, AKOS012488407, DS-8579, AK174069, CS-0040415,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.148g/mol
Monoisotopic Mass	204.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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