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32703-82-5 | 6-(tert-Butyl);naphthalene-2,3-dicarbonitrile
CAS No: 32703-82-5 Catalog No: AG003NC1 MDL No:MFCD00209558
Product Description
Catalog Number:
AG003NC1
Chemical Name:
6-(tert-Butyl);naphthalene-2,3-dicarbonitrile
CAS Number:
32703-82-5
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
MDL Number:
MFCD00209558
IUPAC Name:
6-tert-butylnaphthalene-2,3-dicarbonitrile
InChI:
InChI=1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3
InChI Key:
MKILROQBJOOZKC-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccc(cc2cc1C#N)C(C)(C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.302g/mol
Monoisotopic Mass:
234.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Naphthalocyanine-reconstituted LDL nanoparticles for in vivo cancer imaging and treatment. | International journal of nanomedicine 20071201 |
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