4'-Bromo-5-fluoro-2-hydroxybenzophenone

CAT: 0127-PC6505Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

527751-28-6

MDL Number

MFCD03094356

Purity

=95%

Smiles

Oc1ccc(F)cc1C(=O)c2ccc(Br)cc2

Chemical Information

4'-Bromo-5-fluoro-2-hydroxybenzophenone

CAS Number	527751-28-6
PubChem CID	2778531
IUPAC Name	(4-bromophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
Molecular Formula	C13H8BrFO2
Molecular Weight	295.10
XLogP	4.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	277

SMILES

C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)F)O)Br

InChI

InChI=1S/C13H8BrFO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7,16H

InChIKey

ZGEUWDAGZZILEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 527751-28-6

CID: 2778531

Formula: C13H8BrFO2

MW: 295.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.10
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	293.96917
Monoisotopic Mass	293.96917
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277
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
OR1131-01	5-Bromo-2-hydroxybenzophenone
PC1866M	4'-Chloro-5-fluoro-2-hydroxybenzophenone
PC6503	5-Fluoro-2-hydroxybenzophenone
PC10389	2-Fluoro-4'-hydroxybenzophenone
PC2507-01	4-Fluoro-4'-hydroxybenzophenone
OR1128-01	5-Bromo-2'-chloro-2-hydroxybenzophenone
PC6504	2'-Chloro-5-fluoro-2-hydroxybenzophenone
OR1127	3-Bromo-5-chloro-2-hydroxybenzophenone
OR1129	3-Bromo-2',5-dichloro-2-hydroxybenzophenone
BUP17190	4-Hydroxybenzophenone

Catalog	Name
sc-265690	2-Fluoro-4'-hydroxybenzophenone
sc-233106	4'-Chloro-5-fluoro-2-hydroxybenzophenone
266241-01	5-Bromo-2-hydroxybenzophenone
sc-232708	4-Fluoro-4'-hydroxybenzophenone
sc-233284	5-Bromo-2'-chloro-2-hydroxybenzophenone
sc-251970	3-Bromo-5-chloro-2-hydroxybenzophenone
233964-01	5-Bromo-2-hydroxybenzophenone 99+% (HPLC)
sc-231506	3-Bromo-2',5-dichloro-2-hydroxybenzophenone
sc-479841	2-Amino-5-chloro-4'-hydroxybenzophenone
JCD89764-01	2-Bromo-5-fluoro-4-methoxypyrimidine