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Home > Bromides > 1378307-95-9
1378307-95-9 | 3-(4-Bromo-2-formylphenoxy)propanenitrile
CAS No: 1378307-95-9 Catalog No: AG01FBLG MDL No:
Product Description
Catalog Number:
AG01FBLG
Chemical Name:
3-(4-Bromo-2-formylphenoxy)propanenitrile
CAS Number:
1378307-95-9
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
IUPAC Name:
3-(4-bromo-2-formylphenoxy)propanenitrile
InChI:
InChI=1S/C10H8BrNO2/c11-9-2-3-10(8(6-9)7-13)14-5-1-4-12/h2-3,6-7H,1,5H2
InChI Key:
ACDCJJQGBJGFSX-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1C=O)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:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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