2-Fluoro-3-phenoxypropan-1-ol

CAT: 0926-CFA29614-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CFA29614-01Size:50 mg

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CAS Number

127296-14-4

MDL Number

MFCD29041070

Smiles

C1=CC=C (C=C1) OCC (CO) F

Molecular Formula

C9H11FO2

Molecular Weight

170.18 g/mol

Controlled

Chemical Information

2-Fluoro-3-phenoxypropan-1-ol

CAS Number	127296-14-4
PubChem CID	10986690
IUPAC Name	2-fluoro-3-phenoxypropan-1-ol
Molecular Formula	C9H11FO2
Molecular Weight	170.18
XLogP	1.6
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	113

SMILES

C1=CC=C(C=C1)OCC(CO)F

InChI

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

InChIKey

FQKQBMLTXIZUJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127296-14-4

CID: 10986690

Formula: C9H11FO2

MW: 170.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.18
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	170.07430775
Monoisotopic Mass	170.07430775
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	113
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
AAA70597-01	1-Fluoro-3-phenoxypropan-2-ol
SDA40394-01	2-Methyl-3-phenoxypropan-1-ol
BAA99146-01	2,2-Dimethyl-3-phenoxypropan-1-ol
NAA52474-01	2-Methyl-1-phenoxypropan-2-ol
SDC13034-01	2-Amino-2-methyl-3-phenoxypropan-1-ol
AAA94047-01	1-chloro-3-phenoxypropan-2-one
UND41941-01	1- (4-Fluoro-3-methylphenyl) -3-phenoxypropan-1-amine hydrochloride
AXB75802-01	1-Cyclopropyl-3-phenoxypropan-1-one
ZKA68625-01	2-Methyl-2-phenoxypropan-1-amine
QBA73399-01	2-Fluoro-1- (3-methoxyphenyl) ethan-1-ol

Catalog	Name
PC1007247-01	1-Fluoro-3-phenoxypropan-2-ol
RG-A262904-01	1-Phenoxypropan-2-Ol
TRC-I824070-5G	1-Isopropylamino-3-phenoxypropan-2-ol
sc-282015	1-amino-3-phenoxypropan-2-ol
OR1049240-01	(S) -2-Phenoxypropan-1-ol
TRC-M355510-500MG	2-Methyl-1-phenoxypropan-2-ol
OR33045	1- (Morpholin-4-yl) -3-phenoxypropan-2-ol
OR1046102-01	3- ((1-Phenoxypropan-2-yl) oxy) propan-1-ol
sc-296963	1- (2-Chloro-4-nitro-1H-imidazol-1-yl) -3-phenoxypropan-2-ol
OR346450-01	1-Phenoxypropan-2-one