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1443310-17-5

1443310-17-5 | 6-(4-Bromo-2-formylphenoxy)hexanenitrile

CAS No: 1443310-17-5 Catalog No: AG01FC14 MDL No:

Product Description

Catalog Number:
AG01FC14
Chemical Name:
6-(4-Bromo-2-formylphenoxy)hexanenitrile
CAS Number:
1443310-17-5
Molecular Formula:
C13H14BrNO2
Molecular Weight:
296.1598
IUPAC Name:
6-(4-bromo-2-formylphenoxy)hexanenitrile
InChI:
InChI=1S/C13H14BrNO2/c14-12-5-6-13(11(9-12)10-16)17-8-4-2-1-3-7-15/h5-6,9-10H,1-4,8H2
InChI Key:
LXXUXYWTBHEGKW-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1ccc(cc1C=O)Br

Properties

Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.021g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.164g/mol
Monoisotopic Mass:
295.021g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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