AG00HETB

1189152-82-6 | (S)-2-(4-Bromophenyl)pyrrolidine

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CAS Number	1189152-82-6
Catalog Number	AG00HETB(AGN-PC-0WCU08)
Chemical Name	(S)-2-(4-Bromophenyl)pyrrolidine
IUPAC Name	(2S)-2-(4-bromophenyl)pyrrolidine
InChI	InChI=1S/C10H12BrN/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	HIJZBROSVFKSCP-JTQLQIEISA-N
MDL Number	MFCD06762256
Molecular Formula	C10H12BrN
Molecular Weight	226.1130
SMILES	BrC1=CC=C([C@H]2NCCC2)C=C1
Synonyms	(2S)-2-(4-bromophenyl)pyrrolidine, 1189152-82-6, (S)-2-(4-BROMOPHENYL)PYRROLIDINE, AK321055, AC1ODYDD, AMOT0490, SCHEMBL1778807, DTXSID40427459, HIJZBROSVFKSCP-JTQLQIEISA-N, ZINC2582580, MFCD06762256, (S)-2-(4-bromo-phenyl)-pyrrolidine, AKOS015934477, EBD3321624, FCH1378263, AJ-43096, DS-11747, Pyrrolidine,2-(4-bromophenyl)-,(2S)-, 2-(4-bromophenyl)pyrrolidine, ACN-040850, CID7022790,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	225.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.117g/mol
Monoisotopic Mass	225.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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