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118449-57-3 | 3-(4-Bromophenoxy)propanenitrile
CAS No: 118449-57-3 Catalog No: AG003I33 MDL No:MFCD00634314
Product Description
Catalog Number:
AG003I33
Chemical Name:
3-(4-Bromophenoxy)propanenitrile
CAS Number:
118449-57-3
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD00634314
IUPAC Name:
3-(4-bromophenoxy)propanenitrile
InChI:
InChI=1S/C9H8BrNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChI Key:
JXVPKJBXTXXLPN-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1)Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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