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1039828-17-5

1039828-17-5 | 4-(4-Bromo-2-formylphenoxy)butanenitrile

CAS No: 1039828-17-5 Catalog No: AG01FBRG MDL No:

Product Description

Catalog Number:
AG01FBRG
Chemical Name:
4-(4-Bromo-2-formylphenoxy)butanenitrile
CAS Number:
1039828-17-5
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
IUPAC Name:
4-(4-bromo-2-formylphenoxy)butanenitrile
InChI:
InChI=1S/C11H10BrNO2/c12-10-3-4-11(9(7-10)8-14)15-6-2-1-5-13/h3-4,7-8H,1-2,6H2
InChI Key:
KKSWUPDUJZDOFR-UHFFFAOYSA-N
SMILES:
N#CCCCOc1ccc(cc1C=O)Br

Properties

Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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