AG000CKX

116465-48-6 | Benzoic acid, 2,5-difluoro-4-nitro-

AG000CKX

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CAS Number	116465-48-6
Catalog Number	AG000CKX(AGN-PC-0JOJ8X)
Chemical Name	Benzoic acid, 2,5-difluoro-4-nitro-
IUPAC Name	2,5-difluoro-4-nitrobenzoic acid
InChI	InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key	GPTNSBLYGCZJQV-UHFFFAOYSA-N
MDL Number	MFCD03425705
Molecular Formula	C7H3F2NO4
Molecular Weight	203.0998
NSC Number	59332
SMILES	O=C(O)C1=CC(F)=C([N+]([O-])=O)C=C1F
Synonyms	2,5-difluoro-4-nitrobenzoic acid, 116465-48-6, 2,5-difluoro-4-nitrobenzenecarboxylic acid, 2,5-difluoro-4-nitrobenzic acid, 2,5-Difluoro-4-nitrobenzoicacid, 2,5-difluoro-4-nitro-benzoic acid, BENZOIC ACID, 2,5-DIFLUORO-4-NITRO-, MFCD03425705, 2,5-DIFLUORO-4-NITROBENZENECARBOXYLICACID, NSC59332, PubChem9789, AC1L6HXE, AC1Q5APQ, ACMC-2099sr, KSC495M6L, SCHEMBL1020420, Jsp001168, CTK3J5665, KS-00000CKL, DTXSID40289135, GPTNSBLYGCZJQV-UHFFFAOYSA-N, ACT04519, BCP24606, ZINC2580679, ANW-16969, CD-872, CL4102, NSC-59332, SBB063720, WT1346, Benzoic acid, 2,5-difluoro-4-nitro, AKOS005069260, AC-3606, AS00155, CM12683, CS-W003066, MCULE-4611149518, QC-9066, RP04405, RTR-003021, TF10323, TRA0034551, VZ22743, 2,5-bis(fluoranyl)-4-nitro-benzoic acid, AJ-42885, AK-23574, AN-12807, BR-23574, SC-00481, SY007423, AB0004797, DB-030796, ST2409155, TR-003021, 2,5-Difluoro-4-nitrobenzene carboxylic acid, AM20020249, FT-0648890, V0638, B-6505, MFCD03425705 (97+%), 465D486, A803687, 10R-0046, 116465-48-6 2,5-Difluoro-4-nitrobenzoic acid, I01-2728, W-204900, C7H3F2NO4, AR-1D4304, CID246375, ACN-050150, 116-85-8, 135272-34-3,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.003g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.101g/mol
Monoisotopic Mass	203.003g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number