Home Nitriles 5-Bromo-2-(methoxymethoxy)benzonitrile

5-Bromo-2-(methoxymethoxy)benzonitrile

CAS No.:
1033602-66-2
Catalog Number:
AG0096ZA
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
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Product Description
Catalog Number:
AG0096ZA
Chemical Name:
5-Bromo-2-(methoxymethoxy)benzonitrile
CAS Number:
1033602-66-2
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD12913647
IUPAC Name:
5-bromo-2-(methoxymethoxy)benzonitrile
InChI:
InChI=1S/C9H8BrNO2/c1-12-6-13-9-3-2-8(10)4-7(9)5-11/h2-4H,6H2,1H3
InChI Key:
WVKSARNSMSRZSN-UHFFFAOYSA-N
SMILES:
COCOc1ccc(cc1C#N)Br
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties