AG000NWW

125568-71-0 | Benzoic acid, 2,4-difluoro-5-nitro-, methyl ester

AG000NWW

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CAS Number	125568-71-0
Catalog Number	AG000NWW(AGN-PC-009AM2)
Chemical Name	Benzoic acid, 2,4-difluoro-5-nitro-, methyl ester
IUPAC Name	methyl 2,4-difluoro-5-nitrobenzoate
InChI	InChI=1S/C8H5F2NO4/c1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9/h2-3H,1H3
InChI Key	KLMBOVOUTOBMLS-UHFFFAOYSA-N
MDL Number	MFCD07779369
Molecular Formula	C8H5F2NO4
Molecular Weight	217.1264
SMILES	FC1=C(C(=O)OC)C=C(C(=C1)F)[N+](=O)[O-]
Synonyms	Methyl 2,4-difluoro-5-nitrobenzoate, 125568-71-0, 2,4-DIFLUORO-5-NITROBENZOIC ACID METHYL ESTER, BENZOIC ACID, 2,4-DIFLUORO-5-NITRO-, METHYL ESTER, 2,4-Difluoro-5-nitro-benzoic acid methyl ester, SCHEMBL2247382, KS-00000MNI, DTXSID50466152, KLMBOVOUTOBMLS-UHFFFAOYSA-N, ACT13147, BCP23094, ANW-49519, CM0098, MFCD07779369, ZINC35333516, AKOS009485781, AS00603, CM-2261, CS-W019417, DS-1000, 2,4-Dfluoro-5-nitrobenzoicacidmethylester, AJ-91323, AK-39202, BR-39202, CJ-18744, SC-48198, SY030551, AB0035319, DB-002130, ST2419476, TC-138264, 4CH-014823, AM20020331, FT-0695094, X9629, MFCD07779369 (95%), S-1806, I01-1653, Q-103475, F1905-7112, C8H5F2NO4, Methyl 2,4-difluoro-5-nitro-benzoate, ACN-056550, CID11447263,

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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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