AG01D94M

1217680-27-7 | (S)-2-(2-Bromophenyl)pyrrolidine

AG01D94M

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CAS Number	1217680-27-7
Catalog Number	AG01D94M
Chemical Name	(S)-2-(2-Bromophenyl)pyrrolidine
IUPAC Name	(2S)-2-(2-bromophenyl)pyrrolidine
InChI	InChI=1S/C10H12BrN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2/t10-/m0/s1
InChI Key	BSLGMIVYENBFFY-JTQLQIEISA-N
MDL Number	MFCD06762567
Molecular Formula	C10H12BrN
Molecular Weight	226.1130
SMILES	BrC1=C(C=CC=C1)[C@H]1NCCC1
Synonyms	(s)-2-(2-bromophenyl)pyrrolidine, 1217680-27-7, AMOT0553, SCHEMBL2328010, ZINC2582581, MFCD06762567, AKOS015934494, AJ-43097, (2S)-2-(2-BROMOPHENYL)PYRROLIDINE,

Complexity	149
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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