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Home > Bromides > 1248468-64-5
1248468-64-5 | 5-(4-Bromo-2-formylphenoxy)pentanenitrile
CAS No: 1248468-64-5 Catalog No: AG01FBJD MDL No:
Product Description
Catalog Number:
AG01FBJD
Chemical Name:
5-(4-Bromo-2-formylphenoxy)pentanenitrile
CAS Number:
1248468-64-5
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
IUPAC Name:
5-(4-bromo-2-formylphenoxy)pentanenitrile
InChI:
InChI=1S/C12H12BrNO2/c13-11-4-5-12(10(8-11)9-15)16-7-3-1-2-6-14/h4-5,8-9H,1-3,7H2
InChI Key:
ABKDAUUGIZJRFA-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1ccc(cc1C=O)Br
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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