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53911-36-7 | 4-(tert-Butyl)-2-phenylpyridine
CAS No: 53911-36-7 Catalog No: AG003KAK MDL No:MFCD28099062
Product Description
Catalog Number:
AG003KAK
Chemical Name:
4-(tert-Butyl)-2-phenylpyridine
CAS Number:
53911-36-7
Molecular Formula:
C15H17N
Molecular Weight:
211.3022
MDL Number:
MFCD28099062
IUPAC Name:
4-tert-butyl-2-phenylpyridine
InChI:
InChI=1S/C15H17N/c1-15(2,3)13-9-10-16-14(11-13)12-7-5-4-6-8-12/h4-11H,1-3H3
InChI Key:
HJEZZKLAFQYBOS-UHFFFAOYSA-N
SMILES:
CC(c1ccnc(c1)c1ccccc1)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.308g/mol
Monoisotopic Mass:
211.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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