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951918-87-9 | 2-(2-Bromo-4-chloro-phenoxy)acetonitrile
CAS No: 951918-87-9 Catalog No: AG01F05E MDL No:
Product Description
Catalog Number:
AG01F05E
Chemical Name:
2-(2-Bromo-4-chloro-phenoxy)acetonitrile
CAS Number:
951918-87-9
Molecular Formula:
C8H5BrClNO
Molecular Weight:
246.4884
IUPAC Name:
2-(2-bromo-4-chlorophenoxy)acetonitrile
InChI:
InChI=1S/C8H5BrClNO/c9-7-5-6(10)1-2-8(7)12-4-3-11/h1-2,5H,4H2
InChI Key:
XANRULWSKRQLQG-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(cc1Br)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.488g/mol
Monoisotopic Mass:
244.924g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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