(3,4-Difluorophenyl) (3-fluorophenyl) methanol

CAT: 0127-PC1006084-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1006084-01Size:100 mg

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CAS Number

844683-65-4

MDL Number

MFCD06201321

Purity

95%

Smiles

OC(C1=CC=CC(F)=C1)C2=CC=C(F)C(F)=C2

Chemical Information

3,3',4-Trifluorobenzhydrol

CAS Number	844683-65-4
PubChem CID	2760702
IUPAC Name	(3,4-difluorophenyl)-(3-fluorophenyl)methanol
Molecular Formula	C13H9F3O
Molecular Weight	238.20
XLogP	3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	249

SMILES

C1=CC(=CC(=C1)F)C(C2=CC(=C(C=C2)F)F)O

InChI

InChI=1S/C13H9F3O/c14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h1-7,13,17H

InChIKey

BNJQWECBHNESTE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 844683-65-4

CID: 2760702

Formula: C13H9F3O

MW: 238.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.20
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	238.06054939
Monoisotopic Mass	238.06054939
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	249
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

Catalog	Name
PC1011022-01	(2,3-difluorophenyl) (3-fluorophenyl) methanol
PC1010138-01	(2,5-difluorophenyl) (3-fluorophenyl) methanol
PC1010143-01	(2,5-difluorophenyl) (4-fluorophenyl) methanol
PC1024151	(3,4-difluorophenyl) (phenyl) methanol
PC1008856	(4-Ethoxy-3-fluorophenyl) methanol
PC1009749-01	(4-fluorophenyl) (3-iodophenyl) methanol
PC1009619	(3- (Difluoromethoxy) -4-fluorophenyl) methanol
PC1022813	(4- (Benzyloxy) -3-fluorophenyl) methanol
PC1002412-01	(3-Ethyl-4-fluorophenyl) methanol
PC1010132-01	(2,5-difluorophenyl) (2-fluorophenyl) methanol

Catalog	Name
430989-01	(4-Bromo-3-fluorophenyl) methanol
431289-01	(4-Bromophenyl) (3-fluorophenyl) methanol
425791-01	(3-Fluorophenyl) (4-methoxyphenyl) methanol
JH148088	(4-Amino-3-fluorophenyl) methanol
424680-01	(3-Bromophenyl) (4-fluorophenyl) methanol
431892-01	(4-Chlorophenyl) (3-fluorophenyl) methanol
AAA44637-01	[4- (Dimethylamino) -3-fluorophenyl]methanol
SZB25259-01	[4- (Difluoromethoxy) -3-fluorophenyl]methanol
sc-312360	(3-Amino-4-fluorophenyl) methanol
GAC27636-01	(4-Bromo-3,5-difluorophenyl) methanol