AG005HRN

71471-40-4 | 2-(4-Bromophenyl)succinic acid

AG005HRN

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CAS Number	71471-40-4
Catalog Number	AG005HRN(AGN-PC-00LGL7)
Chemical Name	2-(4-Bromophenyl)succinic acid
IUPAC Name	2-(4-bromophenyl)butanedioic acid
InChI	InChI=1S/C10H9BrO4/c11-7-3-1-6(2-4-7)8(10(14)15)5-9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
InChI Key	OVOOMMVRUQGTIQ-UHFFFAOYSA-N
MDL Number	MFCD06656575
Molecular Formula	C10H9BrO4
Molecular Weight	273.0801
SMILES	OC(CC(C1=CC=C(Br)C=C1)C(O)=O)=O
Synonyms	71471-40-4, 2-(4-Bromophenyl)succinic acid, (4-BROMOPHENYL)SUCCINIC ACID, 2-(4-bromophenyl)butanedioic acid, Butanedioic acid,2-(4-bromophenyl)-, 2-(4-Bromo-phenyl)-succinic acid, Butanedioic acid, (4-bromophenyl)-, (S)-, ACMC-20ll6r, SCHEMBL9468277, CTK5D4231, (4-BROMOPHENYL)SUCCINICACID, 89359-14-8, AB1264, ANW-74488, KM1412, MFCD06656575, AKOS015835656, AB25539, MCULE-4737346751, NS-04409, AX8029475, TR-023503, 2-(4-Bromophenyl)succinic acid, AldrichCPR, FT-0677523, A837193, I04-3565, 2-(4-Bromophenyl)succinicacid, ACN-030204,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.968g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	273.082g/mol
Monoisotopic Mass	271.968g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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