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154405-41-1 | 3-(2-Bromo-4-chloro-phenoxy)propanenitrile
CAS No: 154405-41-1 Catalog No: AG01FBDH MDL No:
Product Description
Catalog Number:
AG01FBDH
Chemical Name:
3-(2-Bromo-4-chloro-phenoxy)propanenitrile
CAS Number:
154405-41-1
Molecular Formula:
C9H7BrClNO
Molecular Weight:
260.5150
IUPAC Name:
3-(2-bromo-4-chlorophenoxy)propanenitrile
InChI:
InChI=1S/C9H7BrClNO/c10-8-6-7(11)2-3-9(8)13-5-1-4-12/h2-3,6H,1,5H2
InChI Key:
JUQQKJCBLFEMPL-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1Br)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.515g/mol
Monoisotopic Mass:
258.94g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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