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20651-73-4 | Benzonitrile, 4-butyl-
CAS No: 20651-73-4 Catalog No: AG002IJ2 MDL No:MFCD00052345
Product Description
Catalog Number:
AG002IJ2
Chemical Name:
Benzonitrile, 4-butyl-
CAS Number:
20651-73-4
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD00052345
IUPAC Name:
4-butylbenzonitrile
InChI:
InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
InChI Key:
KGZNJCXNPLUEQS-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C#N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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