Home Halogens 2-(4-bromophenoxy)-3-methylbutanenitrile

2-(4-bromophenoxy)-3-methylbutanenitrile

CAS No.:
1803598-45-9
Catalog Number:
AG01BADZ
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
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Product Description
Catalog Number:
AG01BADZ
Chemical Name:
2-(4-bromophenoxy)-3-methylbutanenitrile
CAS Number:
1803598-45-9
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD28397614
IUPAC Name:
2-(4-bromophenoxy)-3-methylbutanenitrile
InChI:
InChI=1S/C11H12BrNO/c1-8(2)11(7-13)14-10-5-3-9(12)4-6-10/h3-6,8,11H,1-2H3
InChI Key:
OUSLUSJLJKCILF-UHFFFAOYSA-N
SMILES:
CC(C(Oc1ccc(cc1)Br)C#N)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties