AG0033PD

403-21-4 | 3-Fluoro-4-Nitrobenzoic Acid

AG0033PD

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CAS Number	403-21-4
Catalog Number	AG0033PD(AGN-PC-0JO8X8)
Chemical Name	3-Fluoro-4-Nitrobenzoic Acid
IUPAC Name	3-fluoro-4-nitrobenzoic acid
InChI	InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key	WVZBIQSKLXJFNX-UHFFFAOYSA-N
MDL Number	MFCD01862092
Molecular Formula	C7H4FNO4
Molecular Weight	185.1094
NSC Number	25749
SMILES	FC=1C=C(C(=O)O)C=CC1[N+](=O)[O-]
Synonyms	3-Fluoro-4-nitrobenzoic acid, 403-21-4, 4-nitro-3-fluorobenzoic acid, 3-fluoro-4-nitrobenzenecarboxylic acid, 3-Fluoro-4-nitro-benzoic acid, 453-21-4, 3-fluoro-4-nitrobenzoicacid, Benzoic acid, 3-fluoro-4-nitro-, MFCD01862092, 3-FLUORO-4-NITROBENZENECARBOXYLICACID, NSC25749, PubChem1399, PubChem2225, AC1L5JZZ, AC1Q5ASX, ACMC-1ADL4, SCHEMBL6238, 3-Fluor-4-nitro-benzoesaure, KSC235I9P, 3-fluoro-4-nitrobenzonic acid, 3-fluoro-4-nitroberizoic acid, 3-fluoro 4-nitro benzoic acid, 3-fluoro-4-nitro benzoic acid, 4-Nitro-3-fluoro benzoic acid, AC1Q730M, Jsp006976, CTK1D5497, BUTTPARK 32\01-75, WVZBIQSKLXJFNX-UHFFFAOYSA-N, ZINC167449, ACT00820, CS-D1499, KS-00000CD9, ANW-29365, BBL100714, CF-682, CL4111, EBD216704, NSC-25749, SBB028507, STL554508, WT1345, AKOS005069496, AKOS015967181, AB10204, AC-2917, AN-2932, AS01878, CM12783, FR-2391, LF10861, LS10520, MCULE-4830159713, QC-8317, RP03374, RTC-064038, 3-fluoro-4-nitrobenzene carboxylic acid, TRA-0184477, AJ-16668, AK-10091, BP-13090, BR-10091, N647, SC-04293, SY003335, 3-Fluoro-4-nitrobenzoic acid, AldrichCPR, 403-21-4 3-Fluoro-4-nitrobenzoic acid, AB0006410, AB1003923, DB-014278, ST2417708, TC-064038, TL8006986, AM20040413, F0670, FT-0085025, FT-0650464, FT-0651754, EN300-64892, MFCD01862092 (98%), B-3076, 11P-237, 403F214, I01-1578, I01-5428, J-512503, Z1259161930, null, C7H4FNO4, Methyl 3-fluoro-4-nitrobenzoate, AR-1F3237, CID230653, ACN-050148, Methyl 3-Fluoro-4-nitrobenzenecarboxylate, 3-Fluoro-4-nitrobenzoic acid methyl ester, C2818, 3-Fluoro-4-nitrobenzoic acid, 98% - 25G 25g, 5332-76-3,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.012g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.11g/mol
Monoisotopic Mass	185.012g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number