AG019G4F

1258638-62-8 | 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)-2,2-difluoroaceticacid-B28577

AG019G4F

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CAS Number	1258638-62-8
Catalog Number	AG019G4F(AGN-PC-0WD8KX)
Chemical Name	2-(1-(tert-butoxycarbonyl)piperidin-4-yl)-2,2-difluoroaceticacid-B28577
IUPAC Name	2,2-difluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
InChI	InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-6-4-8(5-7-15)12(13,14)9(16)17/h8H,4-7H2,1-3H3,(H,16,17)
InChI Key	JKLRIUFRABWFPW-UHFFFAOYSA-N
MDL Number	MFCD18433769
Molecular Formula	C12H19F2NO4
Molecular Weight	279.2804
SMILES	C(C)(C)(C)OC(=O)N1CCC(CC1)C(C(=O)O)(F)F
Synonyms	1258638-62-8, 2-(1-(BOC)Piperidin-4-yl)-2,2-difluoroacetic acid, 2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)-2,2-difluoroacetic acid, MFCD18433769, ZINC238148921, CS-W001371, SB12837, EN300-205248, 2-(1-(Boc)-piperidin-4-yl)-2,2-difluoroacetic acid, 2-(1-(t-Butoxycarbonyl)piperidin-4-yl)-2,2-difluoroacetic acid, 2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2,2-difluoroaceticacid, 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)-2,2-difluoroaceticacid-B28577, 2-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2,2-difluoroacetic acid, 2,2-difluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.128g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	279.284g/mol
Monoisotopic Mass	279.128g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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