AG000FZK

1154278-08-6 | Methyl 2,5-difluoro-3-nitrobenzoate

AG000FZK

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CAS Number	1154278-08-6
Catalog Number	AG000FZK(AGN-PC-0WD4G4)
Chemical Name	Methyl 2,5-difluoro-3-nitrobenzoate
IUPAC Name	methyl 2,5-difluoro-3-nitrobenzoate
InChI	InChI=1S/C8H5F2NO4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,1H3
InChI Key	LASMPKWBIDRHAC-UHFFFAOYSA-N
MDL Number	MFCD12172993
Molecular Formula	C8H5F2NO4
Molecular Weight	217.1264
SMILES	O=C(OC)C1=CC(F)=CC([N+]([O-])=O)=C1F
Synonyms	methyl 2,5-difluoro-3-nitrobenzoate, 1154278-08-6, AC1Q42GE, SCHEMBL913705, LASMPKWBIDRHAC-UHFFFAOYSA-N, MFCD12172993, ZINC35333532, AKOS009486128, NE57123, AJ-91327, AS-46443, EN300-65935, Benzoic acid, 2,5-difluoro-3-nitro-, methyl ester,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.019g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.128g/mol
Monoisotopic Mass	217.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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