AG00IB0P

623583-10-8 | 2-Pyrrolidinemethanol, 4,4-difluoro-, hydrochloride, (2S)-

AG00IB0P

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CAS Number	623583-10-8
Catalog Number	AG00IB0P(AGN-PC-0ODPPN)
Chemical Name	2-Pyrrolidinemethanol, 4,4-difluoro-, hydrochloride, (2S)-
IUPAC Name	[(2S)-4,4-difluoropyrrolidin-2-yl]methanol;hydrochloride
InChI	InChI=1S/C5H9F2NO.ClH/c6-5(7)1-4(2-9)8-3-5;/h4,8-9H,1-3H2;1H/t4-;/m0./s1
InChI Key	JWAVXSQHRZARDV-WCCKRBBISA-N
MDL Number	MFCD22570251
Molecular Formula	C5H10ClF2NO
Molecular Weight	173.5888
SMILES	OC[C@H]1NCC(F)(F)C1.[H]Cl
Synonyms	623583-10-8, (S)-(4,4-Difluoropyrrolidin-2-yl)methanol hydrochloride, (S)-(4,4-Difluoropyrrolidin-2-yl)methanol HCl, [(2S)-4,4-difluoropyrrolidin-2-yl]methanol hydrochloride, (S)-2-(Hydroxymethyl)-4,4-difluoropyrrolidine hydrochloride, SCHEMBL15775906, JWAVXSQHRZARDV-WCCKRBBISA-N, MFCD22570251, SB20283, KS-0000075C, AK172318, AS-39801, CS-0038151, Q-3616, [(2S)-4,4-Difluoropyrrolidin-2-yl]methanol HCl, 2-Pyrrolidinemethanol, 4,4-difluoro-, hydrochloride, (2S)-,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	173.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	173.588g/mol
Monoisotopic Mass	173.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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