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Home > Bromides > 1379345-73-9
1379345-73-9 | 3-(4-Bromo-3,5-dimethyl-phenoxy)propanenitrile
CAS No: 1379345-73-9 Catalog No: AG01FA34 MDL No:
Product Description
Catalog Number:
AG01FA34
Chemical Name:
3-(4-Bromo-3,5-dimethyl-phenoxy)propanenitrile
CAS Number:
1379345-73-9
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
IUPAC Name:
3-(4-bromo-3,5-dimethylphenoxy)propanenitrile
InChI:
InChI=1S/C11H12BrNO/c1-8-6-10(14-5-3-4-13)7-9(2)11(8)12/h6-7H,3,5H2,1-2H3
InChI Key:
LQQFHTFRFWZBRZ-UHFFFAOYSA-N
SMILES:
N#CCCOc1cc(C)c(c(c1)C)Br
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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