AG0039DH

1303974-65-3 | 1-(TERTBUTOXYCARBONYL)-4,4-DIFLUOROPIPERIDINE-3-CARBOXYLIC ACID

AG0039DH

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CAS Number	1303974-65-3
Catalog Number	AG0039DH(AGN-PC-0WA3ZW)
Chemical Name	1-(TERTBUTOXYCARBONYL)-4,4-DIFLUOROPIPERIDINE-3-CARBOXYLIC ACID
IUPAC Name	4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI	InChI=1S/C11H17F2NO4/c1-10(2,3)18-9(17)14-5-4-11(12,13)7(6-14)8(15)16/h7H,4-6H2,1-3H3,(H,15,16)
InChI Key	OEXVKTNKFKHQQQ-UHFFFAOYSA-N
MDL Number	MFCD18909829
Molecular Formula	C11H17F2NO4
Molecular Weight	265.2538
SMILES	C(C)(C)(C)OC(=O)N1CC(C(CC1)(F)F)C(=O)O
Synonyms	1303974-65-3, 1-(tert-butoxycarbonyl)-4,4-difluoropiperidine-3-carboxylic acid, 1-(TERTBUTOXYCARBONYL)-4,4-DIFLUOROPIPERIDINE-3-CARBOXYLIC ACID, 1-[(tert-butoxy)carbonyl]-4,4-difluoropiperidine-3-carboxylic acid, MFCD18909829, AKOS024242351, CS-W001396, NE49256, PB16847, AK311240, 1-Boc-4,4-difluoropiperidine-3-carboxylic acid, F1907-0014, 1-(t-Butoxycarbonyl)-4,4-difluoropiperidine-3-carboxylic acid, 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.113g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	265.257g/mol
Monoisotopic Mass	265.113g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

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