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138631-41-1 | Benzonitrile, 4-(4-phenylbutoxy)-
CAS No: 138631-41-1 Catalog No: AG0018XS MDL No:
Product Description
Catalog Number:
AG0018XS
Chemical Name:
Benzonitrile, 4-(4-phenylbutoxy)-
CAS Number:
138631-41-1
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
4-(4-phenylbutoxy)benzonitrile
InChI:
InChI=1S/C17H17NO/c18-14-16-9-11-17(12-10-16)19-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13H2
InChI Key:
IWISDBJHMXJLNC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OCCCCc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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