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820225-02-3 | Benzonitrile, 3-[(2,5-dichloro-4-pyridinyl)hydroxymethyl]-4-fluoro-
CAS No: 820225-02-3 Catalog No: AG005E1K MDL No:
Product Description
Catalog Number:
AG005E1K
Chemical Name:
Benzonitrile, 3-[(2,5-dichloro-4-pyridinyl)hydroxymethyl]-4-fluoro-
CAS Number:
820225-02-3
Molecular Formula:
C13H7Cl2FN2O
Molecular Weight:
297.1119
IUPAC Name:
3-[(2,5-dichloropyridin-4-yl)-hydroxymethyl]-4-fluorobenzonitrile
InChI:
InChI=1S/C13H7Cl2FN2O/c14-10-6-18-12(15)4-8(10)13(19)9-3-7(5-17)1-2-11(9)16/h1-4,6,13,19H
InChI Key:
YCLDRNSVDHAZEH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(c1cc(Cl)ncc1Cl)O)F
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.992g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.11g/mol
Monoisotopic Mass:
295.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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