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Home > Bromides > 1443307-01-4
1443307-01-4 | 5-(4-Bromo-3,5-dimethyl-phenoxy)pentanenitrile
CAS No: 1443307-01-4 Catalog No: AG01FA3W MDL No:
Product Description
Catalog Number:
AG01FA3W
Chemical Name:
5-(4-Bromo-3,5-dimethyl-phenoxy)pentanenitrile
CAS Number:
1443307-01-4
Molecular Formula:
C13H16BrNO
Molecular Weight:
282.1762
IUPAC Name:
5-(4-bromo-3,5-dimethylphenoxy)pentanenitrile
InChI:
InChI=1S/C13H16BrNO/c1-10-8-12(9-11(2)13(10)14)16-7-5-3-4-6-15/h8-9H,3-5,7H2,1-2H3
InChI Key:
RVYCAYJAMXCMCT-UHFFFAOYSA-N
SMILES:
N#CCCCCOc1cc(C)c(c(c1)C)Br
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.181g/mol
Monoisotopic Mass:
281.042g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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