AG0067B7

948595-00-4 | (R)-Bis(3,5-bis(trifluoromethyl)phenyl)(pyrrolidin-2-yl)methanol

AG0067B7

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CAS Number	948595-00-4
Catalog Number	AG0067B7(AGN-PC-0WA2OJ)
Chemical Name	(R)-Bis(3,5-bis(trifluoromethyl)phenyl)(pyrrolidin-2-yl)methanol
IUPAC Name	bis[3,5-bis(trifluoromethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanol
InChI	InChI=1S/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/m1/s1
InChI Key	ITXPGQOGEYWAKW-MRXNPFEDSA-N
MDL Number	MFCD10566975
Molecular Formula	C21H15F12NO
Molecular Weight	525.3307
SMILES	OC(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)[C@@H]3NCCC3
Synonyms	948595-00-4, (R)-Bis(3,5-bis(trifluoromethyl)phenyl)(pyrrolidin-2-yl)methanol, 2-Pyrrolidinemethanol,a,a-bis[3,5-bis(trifluoromethyl)phenyl]-,(2R)-, SCHEMBL3008034, (R)-|A,|A-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, (R)-alpha,alpha-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, C21H15F12NO, KS-00001DIK, ITXPGQOGEYWAKW-MRXNPFEDSA-N, BCP07827, CS-B0073, 2935AH, ZINC100124535, SC-68079, FT-0699258, (R)-bis(3,5-bis(trifluoroMethyl)phenyl)(pyrrolidin, (2R)-bis(3,5-bis(trifluoromethyl)phenyl)(pyrrolidin-2-yl)methanol, (R)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}pyrrolidine, (R)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl}pyrrolidine, (2R)-2beta-[alpha-Hydroxy-3,3',5,5'-tetrakis(trifluoromethyl)benzhydryl]pyrrolidine, (R)-alpha,alpha-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, >=99.0%, ACN-043527, 2-Pyrrolidinemethanol, a,a-bis[3,5-bis(trifluoromethyl)phenyl]-, (2R)-,

Complexity	634
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	525.096g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	525.338g/mol
Monoisotopic Mass	525.096g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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