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70776-34-0 | HEXANEDIOIC ACID BIS[3-BROMO-2-(BROMOMETHYL)-2-(HYDROXYMETHYL)PROPYL] ESTER
CAS No: 70776-34-0 Catalog No: AG005G5Y MDL No:
Product Description
Catalog Number:
AG005G5Y
Chemical Name:
HEXANEDIOIC ACID BIS[3-BROMO-2-(BROMOMETHYL)-2-(HYDROXYMETHYL)PROPYL] ESTER
CAS Number:
70776-34-0
Molecular Formula:
C16H26Br4O6
Molecular Weight:
633.9900
IUPAC Name:
bis[2,2-bis(bromomethyl)-3-hydroxypropyl] hexanedioate
InChI:
InChI=1S/C16H26Br4O6/c17-5-15(6-18,9-21)11-25-13(23)3-1-2-4-14(24)26-12-16(7-19,8-20)10-22/h21-22H,1-12H2
InChI Key:
IARXWGVDGXWFPU-UHFFFAOYSA-N
SMILES:
OCC(COC(=O)CCCCC(=O)OCC(CBr)(CBr)CO)(CBr)CBr
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
633.842g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
633.994g/mol
Monoisotopic Mass:
629.846g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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