AG00HGDM

1217651-75-6 | (S)-2-(4-Chlorophenyl)pyrrolidine

AG00HGDM

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CAS Number	1217651-75-6
Catalog Number	AG00HGDM(AGN-PC-0WG374)
Chemical Name	(S)-2-(4-Chlorophenyl)pyrrolidine
IUPAC Name	(2S)-2-(4-chlorophenyl)pyrrolidine
InChI	InChI=1S/C10H12ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2/t10-/m0/s1
InChI Key	CIHHGGKKRPPWSU-JTQLQIEISA-N
MDL Number	MFCD06762550
Molecular Formula	C10H12ClN
Molecular Weight	181.6620
SMILES	ClC1=CC=C([C@H]2NCCC2)C=C1
Synonyms	(S)-2-(4-CHLOROPHENYL)PYRROLIDINE, 1217651-75-6, (S)-2-(4-chlorophenyl) pyrrolidine, (2S)-2-(4-CHLOROPHENYL)PYRROLIDINE, AMOT0552, SCHEMBL2239954, KS-00000TGA, DTXSID50426554, ZINC2382426, MFCD06762550, AKOS015933234, ACN-053232, (S)-2alpha-(4-Chlorophenyl)pyrrolidine, AJ-34853, BC227887, DS-10356, Pyrrolidine,2-(4-chlorophenyl)-,(2S)-, 2-[p-Chlorophenyl]pyrolidine, CID7009380,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	181.066g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.663g/mol
Monoisotopic Mass	181.066g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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