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874-86-2 | 4-(Chloromethyl)Tolunitrile
CAS No: 874-86-2 Catalog No: AG003K6X MDL No:MFCD00019761
Product Description
Catalog Number:
AG003K6X
Chemical Name:
4-(Chloromethyl)Tolunitrile
CAS Number:
874-86-2
Molecular Formula:
C8H6ClN
Molecular Weight:
151.5929
MDL Number:
MFCD00019761
IUPAC Name:
4-(chloromethyl)benzonitrile
InChI:
InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key:
LOQLDQJTSMKBJU-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C#N
EC Number:
212-869-5
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.019g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.593g/mol
Monoisotopic Mass:
151.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 2-(4-Chloro-phen-yl)acetamide. | Acta crystallographica. Section E, Structure reports online 20111201 |
| Stabilities of ion/radical adducts in the liquid phase as derived from the dependence of electrochemical cleavage reactivities upon solvent. | Journal of the American Chemical Society 20011205 |
| Stepwise and concerted pathways in photoinduced and thermal electron-transfer/bond-breaking reactions. experimental illustration of similarities and contrasts. | Journal of the American Chemical Society 20010530 |
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