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1443355-14-3

1443355-14-3 | 4-(3-Bromo-6-methoxy-phenoxy)butanenitrile

CAS No: 1443355-14-3 Catalog No: AG01FBD7 MDL No:

Product Description

Catalog Number:
AG01FBD7
Chemical Name:
4-(3-Bromo-6-methoxy-phenoxy)butanenitrile
CAS Number:
1443355-14-3
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
IUPAC Name:
4-(5-bromo-2-methoxyphenoxy)butanenitrile
InChI:
InChI=1S/C11H12BrNO2/c1-14-10-5-4-9(12)8-11(10)15-7-3-2-6-13/h4-5,8H,2-3,7H2,1H3
InChI Key:
UCRJKRMKMYJOIS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCCC#N)Br

Properties

Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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