AG0035GF

243991-62-0 | Pentaerythritol tetrakis(2-bromoisobutyrate)

AG0035GF

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CAS Number	243991-62-0
Catalog Number	AG0035GF(AGN-PC-0R0887)
Chemical Name	Pentaerythritol tetrakis(2-bromoisobutyrate)
IUPAC Name	2,2-bis(hydroxymethyl)propane-1,3-diol;2-bromo-2-methylpropanoic acid
InChI	InChI=1S/C5H12O4.4C4H7BrO2/c6-1-5(2-7,3-8)4-9;4*1-4(2,5)3(6)7/h6-9H,1-4H2;4*1-2H3,(H,6,7)
InChI Key	UEBFCIQDWYULRW-UHFFFAOYSA-N
MDL Number	MFCD16621494
Molecular Formula	C21H40Br4O12
Molecular Weight	804.1511
SMILES	BrC(C(=O)O)(C)C.BrC(C(=O)O)(C)C.BrC(C(=O)O)(C)C.BrC(C(=O)O)(C)C.OCC(CO)(CO)CO
Synonyms	Pentaerythritol tetrakis(2-bromoisobutyrate), 243991-62-0, ACMC-20ajz0, CTK8C5465, DTXSID20747920, AKOS030228454, KS-0000005G, SC-69672, TC-165555, 2,2-bis(hydroxymethyl)propane-1,3-diol;2-bromo-2-methylpropanoic acid, 2-Bromo-2-methylpropanoic acid--2,2-bis(hydroxymethyl)propane-1,3-diol (4/1),

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	803.921g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	804.155g/mol
Monoisotopic Mass	799.925g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	230A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number