AG003IRD

885275-89-8 | 3-[(3-Fluorophenyl)amino]propanoic Acid

AG003IRD

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CAS Number	885275-89-8
Catalog Number	AG003IRD(AGN-PC-01DZ9N)
Chemical Name	3-[(3-Fluorophenyl)amino]propanoic Acid
IUPAC Name	3-(3-fluoroanilino)propanoic acid
InChI	InChI=1S/C9H10FNO2/c10-7-2-1-3-8(6-7)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChI Key	WKMPTGFIUPPIGN-UHFFFAOYSA-N
MDL Number	MFCD07784303
Molecular Formula	C9H10FNO2
Molecular Weight	183.1796
SMILES	O=C(O)CCNC1=CC=CC(F)=C1
Synonyms	3-[(3-Fluorophenyl)amino]propanoic acid, 885275-89-8, 3-[(3-Fluorophenyl)amino]propionic acid, 3-Fluorophenyl-DL-beta-alanine, PubChem13942, SCHEMBL3121096, CTK5G0478, KS-00000APA, DTXSID90589450, N-(3-Fluorophenyl)-beta-alanine, WKMPTGFIUPPIGN-UHFFFAOYSA-N, 3-(3-fluoroanilino)propanoic acid, 5749AJ, MFCD07784303, SBB090033, ZINC16082623, AKOS000298373, TRA0062278, 3-[(3-Fluorophenyl)amino]propanoicAcid, 3-(3-fluoro-phenylamino)-propionic acid, AS-31129, SY020039, N-(3-Fluorophenyl)-3-aminopropanoic acid, 3-[N-(3-fluorophenyl)]aminopropionic acid, RT-008905, MFCD07784303 (95%), Z-4567, A842666, C9H10FNO2, 108-67-8,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.07g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	183.182g/mol
Monoisotopic Mass	183.07g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number