AG001SD3

161330-30-9 | N-BOC-(2-Fluorophenyl)glycine

AG001SD3

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CAS Number	161330-30-9
Catalog Number	AG001SD3(AGN-PC-0Q81M2)
Chemical Name	N-BOC-(2-Fluorophenyl)glycine
IUPAC Name	2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI	InChI=1S/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChI Key	IUFATHQIUYUCFE-UHFFFAOYSA-N
MDL Number	MFCD02682469
Molecular Formula	C13H16FNO4
Molecular Weight	269.2688
SMILES	O=C(O)CN(C1=CC=CC=C1F)C(OC(C)(C)C)=O
Synonyms	161330-30-9, 2-Fluorophenylglycine-N-Boc protected, [(tert-butoxycarbonyl)amino](2-fluorophenyl)acetic acid, IUFATHQIUYUCFE-UHFFFAOYSA-N, SCHEMBL8511514, CTK7G9040, DTXSID10464831, ZX-AP008690, 5167AD, MFCD02682469, PC2110, 2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic Acid, AKOS005363001, BBV-38240676, alpha-(Boc-amino)-2-fluorobenzeneacetic acid, CS-0088432, A810248, I14-32714, 2-(tert-butoxycarbonylamino)-2-(2-fluorophenyl)acetic acid, 2-tert-butyloxycarbonylamino-2-(2-fluorophenyl)acetic acid, 2-((tert-Butoxycarbonyl)amino)-2-(2-fluorophenyl)acetic acid, 2-(tert-Butyloxycarbonylamino)-2-(2-fluorophenyl)acetic acid, TERT-BUTOXYCARBONYLAMINO-(2-FLUORO-PHENYL)-ACETIC ACID, 2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid, Benzeneacetic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-, Benzeneacetic acid,a-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-, 2-(2-fluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid, C13H16FNO4, Boc-2-fluoro-DL-phenylglycine, N-BOC-(2-Fluorophenyl)glycine, CID11402952, a-(Boc-amino)-2-fluorobenzeneacetic acid, (2R)-[(tert-butoxycarbonyl)amino](2-fluorophenyl)ethanoic acid,

Complexity	340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.106g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	269.272g/mol
Monoisotopic Mass	269.106g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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