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5558-67-8 | 2,2-Diphenylpropanenitrile
CAS No: 5558-67-8 Catalog No: AG003FC6 MDL No:MFCD00001846
Product Description
Catalog Number:
AG003FC6
Chemical Name:
2,2-Diphenylpropanenitrile
CAS Number:
5558-67-8
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
MDL Number:
MFCD00001846
IUPAC Name:
2,2-diphenylpropanenitrile
InChI:
InChI=1S/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChI Key:
DPVHBXFSKLKYIQ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)(c1ccccc1)C
EC Number:
226-925-1
NSC Number:
62703
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.276g/mol
Monoisotopic Mass:
207.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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