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1254981-27-5 | Pyridine, 2-chloro-4-(phenylmethoxy)-3-(trifluoromethyl)-
CAS No: 1254981-27-5 Catalog No: AG000NQZ MDL No:
Product Description
Catalog Number:
AG000NQZ
Chemical Name:
Pyridine, 2-chloro-4-(phenylmethoxy)-3-(trifluoromethyl)-
CAS Number:
1254981-27-5
Molecular Formula:
C13H9ClF3NO
Molecular Weight:
287.6649
IUPAC Name:
2-chloro-4-phenylmethoxy-3-(trifluoromethyl)pyridine
InChI:
InChI=1S/C13H9ClF3NO/c14-12-11(13(15,16)17)10(6-7-18-12)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
VQMBMVNNRFKZNN-UHFFFAOYSA-N
SMILES:
Clc1nccc(c1C(F)(F)F)OCc1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.666g/mol
Monoisotopic Mass:
287.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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