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1250482-14-4

1250482-14-4 | 5-(2-Bromo-4-chloro-phenoxy)pentanenitrile

CAS No: 1250482-14-4 Catalog No: AG01FB7G MDL No:

Product Description

Catalog Number:
AG01FB7G
Chemical Name:
5-(2-Bromo-4-chloro-phenoxy)pentanenitrile
CAS Number:
1250482-14-4
Molecular Formula:
C11H11BrClNO
Molecular Weight:
288.5681
IUPAC Name:
5-(2-bromo-4-chlorophenoxy)pentanenitrile
InChI:
InChI=1S/C11H11BrClNO/c12-10-8-9(13)4-5-11(10)15-7-3-1-2-6-14/h4-5,8H,1-3,7H2
InChI Key:
TXLWELROANCRFQ-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1ccc(cc1Br)Cl

Properties

Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.971g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.569g/mol
Monoisotopic Mass:
286.971g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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