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3229-00-3 | Pentaerythritol tetrabromide
CAS No: 3229-00-3 Catalog No: AG003AD8 MDL No:MFCD00000210
Product Description
Catalog Number:
AG003AD8
Chemical Name:
Pentaerythritol tetrabromide
CAS Number:
3229-00-3
Molecular Formula:
C5H8Br4
Molecular Weight:
387.7330
MDL Number:
MFCD00000210
IUPAC Name:
1,3-dibromo-2,2-bis(bromomethyl)propane
InChI:
InChI=1S/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2
InChI Key:
OYSVBCSOQFXYHK-UHFFFAOYSA-N
SMILES:
BrCC(CBr)(CBr)CBr
EC Number:
221-764-3
NSC Number:
8998
Properties
Complexity:
51.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.732g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.735g/mol
Monoisotopic Mass:
383.736g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis of new bitopic tetra(pyrazolyl)-ligands with neopentane and O-xylene backbones. | TheScientificWorldJournal 20120101 |
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