AG006DUM

69006-89-9 | (3-Bromophenyl)succinic acid

AG006DUM

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CAS Number	69006-89-9
Catalog Number	AG006DUM(AGN-PC-055SF6)
Chemical Name	(3-Bromophenyl)succinic acid
IUPAC Name	2-(3-bromophenyl)butanedioic acid
InChI	InChI=1S/C10H9BrO4/c11-7-3-1-2-6(4-7)8(10(14)15)5-9(12)13/h1-4,8H,5H2,(H,12,13)(H,14,15)
InChI Key	JRITXMRVPIRIAY-UHFFFAOYSA-N
MDL Number	MFCD06656574
Molecular Formula	C10H9BrO4
Molecular Weight	273.0801
SMILES	O=C(O)C(C1=CC=CC(Br)=C1)CC(O)=O
Synonyms	69006-89-9, 2-(3-bromophenyl)succinic acid, (3-BROMOPHENYL)SUCCINIC ACID, 2-(3-bromophenyl)butanedioic acid, Butanedioic acid,2-(3-bromophenyl)-, 2-(3-BROMO-PHENYL)-SUCCINIC ACID, CTK5C8891, DTXSID60498227, 8175AE, MFCD06656574, AKOS015834584, MCULE-7820458603, NS-04408, AX8029424, TR-022983, FT-0677522, Z-4993, A836308, I04-3582, succinicacid, C10H9BrO4, 2-(3-Bromophenyl)-butanedioic acid, AB01263,

Complexity	254
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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