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87372-77-8 | Pyridine, 3-(2-chloro-1,1-dimethyl-2-phenylethyl)-
CAS No: 87372-77-8 Catalog No: AG004GX7 MDL No:
Product Description
Catalog Number:
AG004GX7
Chemical Name:
Pyridine, 3-(2-chloro-1,1-dimethyl-2-phenylethyl)-
CAS Number:
87372-77-8
Molecular Formula:
C15H16ClN
Molecular Weight:
245.7472
IUPAC Name:
3-(1-chloro-2-methyl-1-phenylpropan-2-yl)pyridine
InChI:
InChI=1S/C15H16ClN/c1-15(2,13-9-6-10-17-11-13)14(16)12-7-4-3-5-8-12/h3-11,14H,1-2H3
InChI Key:
DEEQECRKPXLAOA-UHFFFAOYSA-N
SMILES:
ClC(C(c1cccnc1)(C)C)c1ccccc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.75g/mol
Monoisotopic Mass:
245.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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