2- (4-Fluorophenyl) -1,3-propanediol

CAT: 0926-EIA20152-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-EIA20152-01Size:50 mg

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CAS Number

204201-52-5

MDL Number

MFCD06203012

Smiles

C1=CC (=CC=C1C (CO) CO) F

Molecular Formula

C9H11FO2

Molecular Weight

170.18 g/mol

Controlled

Chemical Information

2-(4-Fluorophenyl)-1,3-propanediol

CAS Number	204201-52-5
PubChem CID	15392524
IUPAC Name	2-(4-fluorophenyl)propane-1,3-diol
Molecular Formula	C9H11FO2
Molecular Weight	170.18
XLogP	0.7
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	118

SMILES

C1=CC(=CC=C1C(CO)CO)F

InChI

InChI=1S/C9H11FO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8,11-12H,5-6H2

InChIKey

PFYTWIIZQFTTOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 204201-52-5

CID: 15392524

Formula: C9H11FO2

MW: 170.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.18
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	170.07430775
Monoisotopic Mass	170.07430775
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	118
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FM138947-01	3- (4-Methoxyphenoxy) -1,2-propanediol
FM00946-01	(2R) -3- (4-Methoxyphenoxy) -1,2-propanediol
IM63783-01	3-[4- (2-Methoxyethyl) phenoxy]-1,2-propanediol
AAA11962-01	2-Amino-1- (4-nitrophenyl) -1,3-propanediol
FB19045-01	2-Bromo-1,3-propanediol
FM41694-01	3-Mercapto-1,2-propanediol
FM34459-01	2-Methyl-1,3-propanediol
BAA79490-01	2-Nitro-1,3-propanediol
FA180508-01	2-Allyl-1,3-propanediol
FI29791-01	3-Isopropylamino) -1,2-propanediol

Catalog	Name
TRC-M473580-1G	2-(4-Methoxyphenyl)-1,3-propanediol
TRC-P309830-100MG	3-(4-Phenoxyphenoxy)-1,2-propanediol
sc-266353	3- (4-Chlorophenoxy) -1,2-propanediol
TRC-C128860-10G	2-(4-Chlorobutyl)-1,3-propanediol
sc-255925	1,3-Propanediol bis (4-aminobenzoate)
TRC-C424250-25G	3-(4-Chlorophenoxy)-1,2-propanediol(Chlorphenesin)
003068	4-[1’- (3’-Azido-1’,2’-propanediol) ]carbazole
A856295	4-[1’-(3’-Azido-1’,2’-propanediol)]carbazole
sc-503221	4-[1′- (3′-Azido-1′,2′-propanediol) ]carbazole
MBS6039882-01	4-[1'-(3'-Azido-1',2'-propanediol)]carbazole