AG01DKJO

918321-24-1 | Methyl 2,3,4-Trifluoro-5-Nitrobenzoate

AG01DKJO

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CAS Number	918321-24-1
Catalog Number	AG01DKJO(AGN-PC-0CI9XZ)
Chemical Name	Methyl 2,3,4-Trifluoro-5-Nitrobenzoate
IUPAC Name	methyl 2,3,4-trifluoro-5-nitrobenzoate
InChI	InChI=1S/C8H4F3NO4/c1-16-8(13)3-2-4(12(14)15)6(10)7(11)5(3)9/h2H,1H3
InChI Key	KLHGRWQHRLWLEB-UHFFFAOYSA-N
MDL Number	MFCD13248633
Molecular Formula	C8H4F3NO4
Molecular Weight	235.1169
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=C(F)C(F)=C1F
Synonyms	methyl 2,3,4-trifluoro-5-nitrobenzoate, 918321-24-1, Benzoic acid, 2,3,4-trifluoro-5-nitro-, methyl ester, SCHEMBL2522809, CTK3H8059, DTXSID90729591, MFCD13248633, ZINC90513185, AS-30492, DB-014854, CS-0061819, 2,3,4-trifluoro-5-nitrobenzoic acid methyl ester, 284030-57-5,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.009g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.118g/mol
Monoisotopic Mass	235.009g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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