AG004W30

85953-30-6 | Methyl 2-chloro-4-fluoro-5-nitrobenzoate

AG004W30

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CAS Number	85953-30-6
Catalog Number	AG004W30(AGN-PC-0N95EB)
Chemical Name	Methyl 2-chloro-4-fluoro-5-nitrobenzoate
IUPAC Name	methyl 2-chloro-4-fluoro-5-nitrobenzoate
InChI	InChI=1S/C8H5ClFNO4/c1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9/h2-3H,1H3
InChI Key	DDVYPVSVDYGBPP-UHFFFAOYSA-N
MDL Number	MFCD07779372
Molecular Formula	C8H5ClFNO4
Molecular Weight	233.5810
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=C(F)C=C1Cl
Synonyms	METHYL 2-CHLORO-4-FLUORO-5-NITROBENZOATE, 85953-30-6, C8H5ClFNO4, SCHEMBL1785458, CTK5F6041, DTXSID00443776, DDVYPVSVDYGBPP-UHFFFAOYSA-N, 3400AC, ANW-53774, MFCD07779372, ZINC35333554, MCULE-8024977351, NE43895, AJ-91328, ST2413293, TC-142519, EN300-84114, 2-Chloro-4-fluoro-5-nitro-benzoic acid methyl ester, Benzoic acid, 2-chloro-4-fluoro-5-nitro-, methyl ester, CID10704820, Methyl 2-chloro-4-fluoro-5-nitro-benzoate,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.989g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.579g/mol
Monoisotopic Mass	232.989g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number