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1443320-99-7 | 4-(4-Bromo-3,5-dimethyl-phenoxy)butanenitrile
CAS No: 1443320-99-7 Catalog No: AG01FADV MDL No:
Product Description
Catalog Number:
AG01FADV
Chemical Name:
4-(4-Bromo-3,5-dimethyl-phenoxy)butanenitrile
CAS Number:
1443320-99-7
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
IUPAC Name:
4-(4-bromo-3,5-dimethylphenoxy)butanenitrile
InChI:
InChI=1S/C12H14BrNO/c1-9-7-11(8-10(2)12(9)13)15-6-4-3-5-14/h7-8H,3-4,6H2,1-2H3
InChI Key:
CRADRMWLHPNTDV-UHFFFAOYSA-N
SMILES:
N#CCCCOc1cc(C)c(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:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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