AG000YMJ

1289387-38-7 | 3-Azetidinecarboxylic acid, 1-[(2-fluorophenyl)methyl]-

AG000YMJ

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CAS Number	1289387-38-7
Catalog Number	AG000YMJ(AGN-PC-0WD006)
Chemical Name	3-Azetidinecarboxylic acid, 1-[(2-fluorophenyl)methyl]-
IUPAC Name	1-[(2-fluorophenyl)methyl]azetidine-3-carboxylic acid
InChI	InChI=1S/C11H12FNO2/c12-10-4-2-1-3-8(10)5-13-6-9(7-13)11(14)15/h1-4,9H,5-7H2,(H,14,15)
InChI Key	JTTUTTJHLWTABB-UHFFFAOYSA-N
MDL Number	MFCD18837580
Molecular Formula	C11H12FNO2
Molecular Weight	209.2169
SMILES	O=C(C1CN(CC2=CC=CC=C2F)C1)O
Synonyms	1-(2-Fluorobenzyl)azetidine-3-carboxylic acid, 1289387-38-7, 1-(2-Fluoro-benzyl)-azetidine-3-carboxylic acid, 1-[(2-fluorophenyl)methyl]azetidine-3-carboxylic acid, ZINC70569578, AKOS013582484, AJ-117375, CS-0060474, ST24037108, F1908-2086,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.085g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.22g/mol
Monoisotopic Mass	209.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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