(4-Azido-2-fluorophenyl) methanol

CAT: 0926-DLB56290-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DLB56290-01Size:50 mg

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CAS Number

903562-90-3

Smiles

C1=CC (=C (C=C1N=[N+]=[N-]) F) CO

Molecular Formula

C7H6FN3O

Molecular Weight

167.14 g/mol

Controlled

Chemical Information

(4-Azido-2-fluorophenyl)methanol

CAS Number	903562-90-3
PubChem CID	90284884
IUPAC Name	(4-azido-2-fluorophenyl)methanol
Molecular Formula	C7H6FN3O
Molecular Weight	167.14
XLogP	2.1
Topological Polar Surface Area	34.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	193

SMILES

C1=CC(=C(C=C1N=[N+]=[N-])F)CO

InChI

InChI=1S/C7H6FN3O/c8-7-3-6(10-11-9)2-1-5(7)4-12/h1-3,12H,4H2

InChIKey

KPMSQZOFSBOCHG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 903562-90-3

CID: 90284884

Formula: C7H6FN3O

MW: 167.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.14
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.04948999
Monoisotopic Mass	167.04948999
Topological Polar Surface Area	34.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	193
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
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WFA01945	(4-Amino-3-fluorophenyl) methanol

Catalog	Name
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PC1012220-01	(2-fluorophenyl) (4-iodophenyl) methanol
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