Home Halogens Pentaerythritol tetrakis(2-bromoisobutyrate)

Pentaerythritol tetrakis(2-bromoisobutyrate)

CAS No.:
243991-62-0
Catalog Number:
AG0035GF
Molecular Formula:
C21H40Br4O12
Molecular Weight:
804.1511
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Product Description
Catalog Number:
AG0035GF
Chemical Name:
Pentaerythritol tetrakis(2-bromoisobutyrate)
CAS Number:
243991-62-0
Molecular Formula:
C21H40Br4O12
Molecular Weight:
804.1511
MDL Number:
MFCD16621494
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
SMILES:
OC(=O)C(Br)(C)C.OC(=O)C(Br)(C)C.OC(=O)C(Br)(C)C.OC(=O)C(Br)(C)C.OCC(CO)(CO)CO
Properties
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
Properties