AG00BCQN

219928-13-9 | 1-(3-Bromophenyl)pyrrolidine

AG00BCQN

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CAS Number	219928-13-9
Catalog Number	AG00BCQN(AGN-PC-0LW74V)
Chemical Name	1-(3-Bromophenyl)pyrrolidine
IUPAC Name	1-(3-bromophenyl)pyrrolidine
InChI	InChI=1S/C10H12BrN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChI Key	SKCNYQBWULWGAP-UHFFFAOYSA-N
MDL Number	MFCD04112531
Molecular Formula	C10H12BrN
Molecular Weight	226.1130
SMILES	BrC1=CC(N2CCCC2)=CC=C1
Synonyms	1-(3-bromophenyl)pyrrolidine, 219928-13-9, ACMC-1CKJJ, (3-bromophenyl)pyrrolidine, n-(3-bromophenyl)pyrrolidine, SCHEMBL1353556, DTXSID80426845, SKCNYQBWULWGAP-UHFFFAOYSA-N, ZINC2526732, ANW-24657, MFCD04112531, SBB096931, AKOS015834581, FS-3540, RP05404, KS-000025B6, AJ-37694, AK-90852, CJ-08910, DB-010123, ST2414983, TR-010324, 4CH-013373, A4717, FT-0686443, Y8300, B-7935, I01-6918, W-206698, I14-108408, C10H12BrN, ZINC02526732, CID7016459, DS-2000,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	0
Isotope Atom Count	0
Molecular Weight	226.117g/mol
Monoisotopic Mass	225.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number