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84803-57-6 | (4-TERT-BUTYL-2,6-DIMETHYL-PHENYL)-ACETONITRILE
CAS No: 84803-57-6 Catalog No: AG004XF3 MDL No:MFCD00546812
Product Description
Catalog Number:
AG004XF3
Chemical Name:
(4-TERT-BUTYL-2,6-DIMETHYL-PHENYL)-ACETONITRILE
CAS Number:
84803-57-6
Molecular Formula:
C14H19N
Molecular Weight:
201.3074
MDL Number:
MFCD00546812
IUPAC Name:
2-(4-tert-butyl-2,6-dimethylphenyl)acetonitrile
InChI:
InChI=1S/C14H19N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6H2,1-5H3
InChI Key:
ZUXNULGHCOXCFL-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)cc(cc1C)C(C)(C)C
EC Number:
284-183-4
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.313g/mol
Monoisotopic Mass:
201.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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