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147983-19-5 | Benzonitrile, 4-[(5-iodopentyl)oxy]-
CAS No: 147983-19-5 Catalog No: AG001FCM MDL No:
Product Description
Catalog Number:
AG001FCM
Chemical Name:
Benzonitrile, 4-[(5-iodopentyl)oxy]-
CAS Number:
147983-19-5
Molecular Formula:
C12H14INO
Molecular Weight:
315.1501
IUPAC Name:
4-(5-iodopentoxy)benzonitrile
InChI:
InChI=1S/C12H14INO/c13-8-2-1-3-9-15-12-6-4-11(10-14)5-7-12/h4-7H,1-3,8-9H2
InChI Key:
ZEVJOICPNUFZOW-UHFFFAOYSA-N
SMILES:
ICCCCCOc1ccc(cc1)C#N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.154g/mol
Monoisotopic Mass:
315.012g/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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