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122955-96-8

122955-96-8 | Tetradecane, 1-[(1R)-2-bromo-1-[(tetradecyloxy)methyl]ethoxy]- (9CI)

CAS No: 122955-96-8 Catalog No: AG000JTV MDL No:

Product Description

Catalog Number:
AG000JTV
Chemical Name:
Tetradecane, 1-[(1R)-2-bromo-1-[(tetradecyloxy)methyl]ethoxy]- (9CI)
CAS Number:
122955-96-8
Molecular Formula:
C31H63BrO2
Molecular Weight:
547.7347
IUPAC Name:
1-(3-bromo-2-tetradecoxypropoxy)tetradecane
InChI:
InChI=1S/C31H63BrO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-30-31(29-32)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3
InChI Key:
SYRINRJFOAVDSF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC[C@@H](OCCCCCCCCCCCCCC)CBr

Properties

Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.401g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
547.747g/mol
Monoisotopic Mass:
546.401g/mol
Rotatable Bond Count:
30  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
14.1  

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