Nuarimol

CAT: 1299-RM-N211800-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N211800-01Size:10 mg

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CAS Number

63284-71-9

Synonyms

(2-chlorophenyl) (4-fluorophenyl) (pyrimidin-5-yl) methanol

Molecular Formula

C17H12ClFN2O

Molecular Weight

314.74

Target Alternative Name

Nuarimol

Product Name Synonym

(2-chlorophenyl) (4-fluorophenyl) (pyrimidin-5-yl) methanol

Chemical Information

Nuarimol

inhibits C14-demethylation in oat & rye sterol biosynthesis; RN given refers to cpd without isomeric designation

CAS Number	63284-71-9
PubChem CID	91683
IUPAC Name	(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol
Molecular Formula	C17H12ClFN2O
Molecular Weight	314.7
XLogP	2.2
Topological Polar Surface Area	46
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	359

SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl

InChI

InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H

InChIKey

SAPGTCDSBGMXCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63284-71-9

CID: 91683

Formula: C17H12ClFN2O

MW: 314.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.7
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	314.0622189
Monoisotopic Mass	314.0622189
Topological Polar Surface Area	46 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	359
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes