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1799681-96-1 | Pyridine, 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]-
CAS No: 1799681-96-1 Catalog No: AG0021IO MDL No:
Product Description
Catalog Number:
AG0021IO
Chemical Name:
Pyridine, 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]-
CAS Number:
1799681-96-1
Molecular Formula:
C12H7ClFN5O
Molecular Weight:
291.6683
IUPAC Name:
5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine
InChI:
InChI=1S/C12H7ClFN5O/c13-8-5-10(14)12(15-6-8)20-9-3-1-7(2-4-9)11-16-18-19-17-11/h1-6H,(H,16,17,18,19)
InChI Key:
OFJQIZJDPLXMGG-UHFFFAOYSA-N
SMILES:
Clc1cnc(c(c1)F)Oc1ccc(cc1)c1n[nH]nn1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.032g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.67g/mol
Monoisotopic Mass:
291.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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