AG00DACE

5543-27-1 | 4-(Pyrrolidinylcarbonyl)bromobenzene

AG00DACE

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CAS Number	5543-27-1
Catalog Number	AG00DACE(AGN-PC-0JWJB7)
Chemical Name	4-(Pyrrolidinylcarbonyl)bromobenzene
IUPAC Name	(4-bromophenyl)-pyrrolidin-1-ylmethanone
InChI	InChI=1S/C11H12BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChI Key	HVTDUODOHGNXMJ-UHFFFAOYSA-N
MDL Number	MFCD00595283
Molecular Formula	C11H12BrNO
Molecular Weight	254.1231
SMILES	O=C(C1=CC=C(Br)C=C1)N2CCCC2
Synonyms	5543-27-1, (4-bromophenyl)(pyrrolidin-1-yl)methanone, 1-(4-Bromobenzoyl)pyrrolidine, 4-(PYRROLIDINYLCARBONYL)BROMOBENZENE, MFCD00595283, (4-Bromo-phenyl)-pyrrolidin-1-yl-methanone, MLS000523650, ACMC-1AXRQ, methanone,(4-bromophenyl)-1-pyrrolidinyl-, AC1LGDZ1, AC1Q5DRJ, SCHEMBL971083, CHEMBL1602569, 4-bromophenyl pyrrolidinyl ketone, CTK5A3590, DTXSID60356111, HVTDUODOHGNXMJ-UHFFFAOYSA-N, HMS2376A14, ZINC335585, KS-00000E0S, ANW-32314, STK181758, AKOS000192000, (4-bromopheny)pyrrolidin-1-ylmethanone, AM87065, MCULE-8208241091, (4-bromophenyl)pyrrolidin-1-ylmethanone, (4-bromophenyl)-pyrrolidin-1-ylmethanone, AJ-19729, AK107874, AS-18013, BAS 03215200, SMR000122723, SY040446, TR-019543, Methanone, (4-bromophenyl)-1-pyrrolidinyl-, ST50914357, V6589, MFCD00595283 (97%), K-9900, SR-01000321307, SR-01000321307-1, I01-11780, methanone, C11H12BrNO, AR-1J4158, CID819718, 55844-53-6,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.127g/mol
Monoisotopic Mass	253.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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