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Home > Bromides > 1017023-58-3
1017023-58-3 | 4-(2-Bromo-4-chloro-phenoxy)butanenitrile
CAS No: 1017023-58-3 Catalog No: AG01FBG2 MDL No:
Product Description
Catalog Number:
AG01FBG2
Chemical Name:
4-(2-Bromo-4-chloro-phenoxy)butanenitrile
CAS Number:
1017023-58-3
Molecular Formula:
C10H9BrClNO
Molecular Weight:
274.5416
IUPAC Name:
4-(2-bromo-4-chlorophenoxy)butanenitrile
InChI:
InChI=1S/C10H9BrClNO/c11-9-7-8(12)3-4-10(9)14-6-2-1-5-13/h3-4,7H,1-2,6H2
InChI Key:
UOYBOUKDLNQCIU-UHFFFAOYSA-N
SMILES:
N#CCCCOc1ccc(cc1Br)Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.956g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.542g/mol
Monoisotopic Mass:
272.956g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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