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Home > Bromides > 1443354-70-8
1443354-70-8 | 5-(4-Bromo-3-methyl-phenoxy)pentanenitrile
CAS No: 1443354-70-8 Catalog No: AG01FBD1 MDL No:
Product Description
Catalog Number:
AG01FBD1
Chemical Name:
5-(4-Bromo-3-methyl-phenoxy)pentanenitrile
CAS Number:
1443354-70-8
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
IUPAC Name:
5-(4-bromo-3-methylphenoxy)pentanenitrile
InChI:
InChI=1S/C12H14BrNO/c1-10-9-11(5-6-12(10)13)15-8-4-2-3-7-14/h5-6,9H,2-4,8H2,1H3
InChI Key:
FHQKCGVXSNYXDV-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1ccc(c(c1)C)Br
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.154g/mol
Monoisotopic Mass:
267.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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