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951918-29-9 | 2-(4-Bromo-3,5-dimethylphenoxy)acetonitrile
CAS No: 951918-29-9 Catalog No: AG003EUY MDL No:MFCD09906444
Product Description
Catalog Number:
AG003EUY
Chemical Name:
2-(4-Bromo-3,5-dimethylphenoxy)acetonitrile
CAS Number:
951918-29-9
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
MDL Number:
MFCD09906444
IUPAC Name:
2-(4-bromo-3,5-dimethylphenoxy)acetonitrile
InChI:
InChI=1S/C10H10BrNO/c1-7-5-9(13-4-3-12)6-8(2)10(7)11/h5-6H,4H2,1-2H3
InChI Key:
ODEGONCELYZGPA-UHFFFAOYSA-N
SMILES:
N#CCOc1cc(C)c(c(c1)C)Br
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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