AG003GAE

394-27-4 | 2-Acetamido-4-fluorobenzoic acid

AG003GAE

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CAS Number	394-27-4
Catalog Number	AG003GAE(AGN-PC-0KK7DL)
Chemical Name	2-Acetamido-4-fluorobenzoic acid
IUPAC Name	2-acetamido-4-fluorobenzoic acid
InChI	InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key	FQNDKDYHEFCPRW-UHFFFAOYSA-N
MDL Number	MFCD00665891
Molecular Formula	C9H8FNO3
Molecular Weight	197.1631
SMILES	O=C(O)C1=CC=C(F)C=C1NC(=O)C
Synonyms	2-Acetamido-4-fluorobenzoic acid, 394-27-4, 2-acetamido-4-fluoro-benzoic Acid, 2-(acetylamino)-4-fluorobenzoic acid, PubChem12469, ACMC-20ao6h, AC1Q1KJ6, AC1MC477, SCHEMBL7144739, CTK4I1352, KS-00003KAE, DTXSID00370972, N-Acetyl-4-fluoroanthranilic acid, ZINC404042, 2407AE, MFCD00665891, PC0673, SBB092124, 2-acetamido-4-fluoranyl-benzoic acid, AKOS000149725, FS-1018, MCULE-1844406156, NE11657, Benzoic acid,2-(acetylamino)-4-fluoro-, AJ-22208, AN-25662, DB-069812, TR-039850, FT-0691523, ST51041383, EN300-50461, 394A274, A824543, Z133263888, C9H8FNO3, CID2735826,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.049g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	197.165g/mol
Monoisotopic Mass	197.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number