AG003JHU

393-53-3 | 3-Fluoroisonicotinic acid monohydrate

AG003JHU

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CAS Number	393-53-3
Catalog Number	AG003JHU(AGN-PC-0JMGSP)
Chemical Name	3-Fluoroisonicotinic acid monohydrate
IUPAC Name	3-fluoropyridine-4-carboxylic acid
InChI	InChI=1S/C6H4FNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
InChI Key	POLXLLIQWDBJMD-UHFFFAOYSA-N
MDL Number	MFCD03789251
Molecular Formula	C6H4FNO2
Molecular Weight	141.0999
NSC Number	402974
SMILES	C1=CN=CC(=C1C(=O)O)F
Synonyms	3-fluoropyridine-4-carboxylic acid, 3-Fluoroisonicotinic acid, 393-53-3, 3-Fluoropyridine-4-carboxylic acid, 3-Fluoro-4-pyridinecarboxylic acid, MFCD03789251, 3-fluoro isonicotinic acid, 3-fluoro-isonicotinic acid, 3-fluoro-4-carboxypyridine, 4-Pyridinecarboxylic acid, 3-fluoro-, 393-53-3 3-Fluoropyridine-4-carboxylic acid, 3-Fluoropyridine-4-carboxylicacid, NSC402974, PubChem3549, ACMC-209j4v, AC1L82LS, SCHEMBL82604, KSC226M0J, CTK1C6604, DTXSID10323070, POLXLLIQWDBJMD-UHFFFAOYSA-N, BCP22196, KS-000003MY, ZINC1595320, 3-fluoro-4-pyridine carboxylic acid, 3-fluoro-pyridine-4-carboxylic acid, 4-Pyridinecarboxylicacid, 3-fluoro-, ANW-29069, BBL102517, HT1070, SBB028460, STL556320, WT1962, AKOS005254563, AN-2162, CS-W001559, LS20409, MCULE-4354141649, NSC-402974, PS-9028, QC-4559, RP01271, RTC-010901, SB10495, TRA0072400, AC-23126, AJ-27802, AK-25903, BP-12627, BR-25903, SY021120, 3-Fluoro-4-pyridinecarboxylic acid, 97%, AB0020485, AB1005283, DB-006449, ST2410705, TC-010901, TL8002845, 4CH-000932, A6592, FT-0081900, FT-0600147, ST50823728, V1368, EN300-82886, B-3057, 21412-EP2274983A1, 21412-EP2314295A1, MFCD03789251 (97+%), 393F533, I02-0592, I02-1839, Q-103090, 3-Fluoro-isonicotinic acid;3-Fluoro-4-carboxypyridine, F1905-7161, Z1270326283, 4-Carboxy-3-fluoropyridine, C6H4FNO2, Cf-1001, CID345361, ACN-031624, 3-Fluoropyridine-4-carboxylic acid, 97% 250mg, 131307-35-2,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.023g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	141.101g/mol
Monoisotopic Mass	141.023g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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

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