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Home > Bromides > 1379342-90-1
1379342-90-1 | 3-(4-Bromo-3-methyl-phenoxy)propanenitrile
CAS No: 1379342-90-1 Catalog No: AG01FB9V MDL No:
Product Description
Catalog Number:
AG01FB9V
Chemical Name:
3-(4-Bromo-3-methyl-phenoxy)propanenitrile
CAS Number:
1379342-90-1
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
IUPAC Name:
3-(4-bromo-3-methylphenoxy)propanenitrile
InChI:
InChI=1S/C10H10BrNO/c1-8-7-9(3-4-10(8)11)13-6-2-5-12/h3-4,7H,2,6H2,1H3
InChI Key:
SHLNRJNQNHWXLU-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(c(c1)C)Br
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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