AG01DU4X

86129-35-3 | METHYL 2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(4-FLUOROPHENYL)PROPANOATE

AG01DU4X

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CAS Number	86129-35-3
Catalog Number	AG01DU4X
Chemical Name	METHYL 2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(4-FLUOROPHENYL)PROPANOATE
IUPAC Name	methyl 3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI	InChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-5-7-11(16)8-6-10/h5-8,12H,9H2,1-4H3,(H,17,19)
InChI Key	CSKFYKNIJQMDLZ-UHFFFAOYSA-N
MDL Number	MFCD24473468
Molecular Formula	C15H20FNO4
Molecular Weight	297.3220
SMILES	O=C(OC)C(NC(OC(C)(C)C)=O)CC1=CC=C(F)C=C1
Synonyms	86129-35-3, Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoate, SCHEMBL479103, CTK8G8424, MFCD24473468, Methyl 2-((t-butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoate, METHYL 2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-(4-FLUOROPHENYL)PROPANOATE, Methyl (2r)-2-[(tert-butoxy)carbonylamino]-3-(4-fluorophenyl)propanoate, 176794-99-3,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.138g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	297.326g/mol
Monoisotopic Mass	297.138g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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