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1237117-29-1 | 2-Chloro-5-butylbenzonitrile
CAS No: 1237117-29-1 Catalog No: AG01FF9N MDL No:MFCD16817652
Product Description
Catalog Number:
AG01FF9N
Chemical Name:
2-Chloro-5-butylbenzonitrile
CAS Number:
1237117-29-1
Molecular Formula:
C11H12ClN
Molecular Weight:
193.6727
MDL Number:
MFCD16817652
IUPAC Name:
5-butyl-2-chlorobenzonitrile
InChI:
InChI=1S/C11H12ClN/c1-2-3-4-9-5-6-11(12)10(7-9)8-13/h5-7H,2-4H2,1H3
InChI Key:
FJLPYXPHTDXLFI-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(c(c1)C#N)Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.674g/mol
Monoisotopic Mass:
193.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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