AG001CSH

1408057-44-2 | 2-Pyrrolidinemethanol, 4,4-difluoro-1-methyl-, (2S)-

AG001CSH

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CAS Number	1408057-44-2
Catalog Number	AG001CSH(AGN-PC-0WBRZX)
Chemical Name	2-Pyrrolidinemethanol, 4,4-difluoro-1-methyl-, (2S)-
IUPAC Name	[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
InChI	InChI=1S/C6H11F2NO/c1-9-4-6(7,8)2-5(9)3-10/h5,10H,2-4H2,1H3/t5-/m0/s1
InChI Key	XTBIVKQOFIPRQX-YFKPBYRVSA-N
MDL Number	MFCD23106096
Molecular Formula	C6H11F2NO
Molecular Weight	151.1544
SMILES	C(O)[C@H]1N(C)CC(C1)(F)F
Synonyms	1408057-44-2, (S)-(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol, (S)-2-(Hydroxymethyl)-1-methyl-4,4-difluoropyrrolidine, [(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol, SCHEMBL12439722, XTBIVKQOFIPRQX-YFKPBYRVSA-N, MFCD23106096, ZINC95743459, AKOS025290367, FCH3459936, PB38929, SB20854, KS-000007M1, AK172592, AS-51815, CS-0053060, Q-4809, [(2S)-4,4-Difluoro-1-methyl-pyrrolidin-2-yl]methanol, 2-Pyrrolidinemethanol, 4,4-difluoro-1-methyl-, (2S)-,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	151.081g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	151.157g/mol
Monoisotopic Mass	151.081g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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