4-Bromo-3',5'-difluorobenzophenone

CAT: 0127-PC2358Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC2358Size:1 Each

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CAS Number

844879-03-4

MDL Number

MFCD06201446

Purity

95%

Smiles

Fc1cc(F)cc(c1)C(=O)c2ccc(Br)cc2

Chemical Information

4-Bromo-3',5'-difluorobenzophenone

CAS Number	844879-03-4
PubChem CID	2756920
IUPAC Name	(4-bromophenyl)-(3,5-difluorophenyl)methanone
Molecular Formula	C13H7BrF2O
Molecular Weight	297.09
XLogP	4.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	267

SMILES

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

InChI

InChI=1S/C13H7BrF2O/c14-10-3-1-8(2-4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7H

InChIKey

NSSPHHIIJGNZTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 844879-03-4

CID: 2756920

Formula: C13H7BrF2O

MW: 297.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.09
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	295.96483
Monoisotopic Mass	295.96483
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	267
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
PC2351	3-Bromo-3',5'-difluorobenzophenone
PC2350	3-Bromo-3',4'-difluorobenzophenone
PC2352	4-Bromo-3',4'-difluorobenzophenone
PC2491	4-Butyl-3',5'-difluorobenzophenone
PC2695D-01	3,5-Difluorobenzophenone
PC2596	4-Chloro-3',5'-difluorobenzophenone
PC2694-01	3,4-Difluorobenzophenone
PC2695-01	3,4'-Difluorobenzophenone
PC2494	4-tert-Butyl-3',5'-difluorobenzophenone
PC2486	4-Butyl-3',4'-difluorobenzophenone

Catalog	Name
sc-323065	4-Chloro-3',5'-difluorobenzophenone
sc-266956	3,5-Difluorobenzophenone
sc-322777	3,5-Dichloro-3',4'-difluorobenzophenone
sc-322679	3,4-Dichloro-3',5'-difluorobenzophenone
sc-231993	3,4-Difluorobenzophenone
sc-506990	3,4'-Difluorobenzophenone
sc-357792	4-tert-Butyl-3',5'-difluorobenzophenone
sc-323060	4-Chloro-3',4'-difluorobenzophenone
sc-322448	3-Chloro-3',5'-difluorobenzophenone
sc-254730	4,4'-Difluorobenzophenone