3-Fluorobenzophenone

CAT: 0926-FF67608-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FF67608-02Size:10 g

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CAS Number

345-69-7

MDL Number

MFCD00083553

Smiles

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

Molecular Formula

C13H9FO

Molecular Weight

200.21 g/mol

Controlled

Chemical Information

3-Fluorobenzophenone

CAS Number	345-69-7
PubChem CID	2779349
IUPAC Name	(3-fluorophenyl)-phenylmethanone
Molecular Formula	C13H9FO
Molecular Weight	200.21
XLogP	3.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	221

SMILES

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

InChI

InChI=1S/C13H9FO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H

InChIKey

NCIYZALOQBXNLW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 345-69-7

CID: 2779349

Formula: C13H9FO

MW: 200.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.21
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	200.063743068
Monoisotopic Mass	200.063743068
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221
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
FF12143-01	4-Fluorobenzophenone
FF67966-01	2-Fluorobenzophenone
FA17637-01	2-Amino-5-nitro-2'-fluorobenzophenone
FA15197-01	2-Amino-5-chloro-2'-fluorobenzophenone
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
JMB17199-01	3,3,3-Trifluoropropanehydrazide
QPA42834	3,3,3-Trifluoropropanethioamide
QDC45219-01	3- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea

Catalog	Name
PC9753-01	3-Fluorobenzophenone
sc-231522	3-Bromo-4'-fluorobenzophenone
106340 25	4-Fluorobenzophenone
431066-01	4-Bromo-3'-fluorobenzophenone
sc-322644	3,3'-Dichloro-5-fluorobenzophenone
sc-259887A	2-Fluorobenzophenone
PC2322	3-Bromo-3'-chloro-5'-fluorobenzophenone
sc-322744	3,4'-Dichloro-5-fluorobenzophenone
PC2333	4-Bromo-3'-chloro-5'-fluorobenzophenone
sc-352202	2-Amino-4'-fluorobenzophenone