AG0037QR

51114-94-4 | (2-CARBOXYETHYL)TRIPHENYLPHOSPHONIUM BROMIDE

AG0037QR

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CAS Number	51114-94-4
Catalog Number	AG0037QR(AGN-PC-0KK688)
Chemical Name	(2-CARBOXYETHYL)TRIPHENYLPHOSPHONIUM BROMIDE
EC Number	610-613-0
IUPAC Name	2-carboxyethyl(triphenyl)phosphanium;bromide
InChI	InChI=1S/C21H19O2P.BrH/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H
InChI Key	BVKRDNIULHRLCO-UHFFFAOYSA-N
MDL Number	MFCD00031698
Molecular Formula	C21H20BrO2P
Molecular Weight	415.2601
NSC Number	84145
SMILES	[Br-].C(=O)(O)CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonyms	(2-Carboxyethyl)triphenylphosphonium bromide, 51114-94-4, 2-Carboxyethyl triphenylphosponium bromide, AK-35397, NSC84145, Phosphonium, (2-carboxyethyl)triphenyl-, bromide, NSC-84145, (2-CARBOXYETHYL)TRIPHENYLPHOSPHONIUM BROMIDE, 97%, AC1MBZT3, C21H20O2P.Br, SCHEMBL174432, CHEMBL1970728, CTK1H4027, KS-00000LCD, BVKRDNIULHRLCO-UHFFFAOYSA-N, CS-M0693, 2854AH, MFCD00031698, AKOS017345147, MCULE-1272622640, OR18825, ACM51114944, AS-10181, SC-25249, SY067471, 2-carboxyethyl triphenylphosphonium bromide, 2-carboxyethyl-triphenylphosphonium bromide, 2-carboxyethyl(triphenyl)phosphanium bromide, 2-carboxyethyl(triphenyl)phosphonium bromide, AX8044166, ST24033848, (2-Carboxyethyl) triphenylphosphonium Bromide, MFCD00031698 (97%), (2-Carboxy-ethyl)-triphenyl-phosphonium bromide, (2-CARBOXYETHYL)TRIPHENYLPHOSPHONIUMBROMIDE, A828444, 3-hydroxy-3-oxopropyl(triphenyl)phosphanium bromide, I14-107330, TRIPHENYLPHOSPHONIUMBROMIDE, 3-(Triphenylphosphoranyl)propanoic acid, ACN-034946, CID2733850, 2-Carboxyethyltriphenylphosphonium bromide, 2-carboxyethyl-triphenyl-phosphanium Bromide, (2-Carboxyethyl)triphenylphosphonium bromide, 97% - 25G 25g,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	414.038g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	415.267g/mol
Monoisotopic Mass	414.038g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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