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4-Bromobenzophenone

CAT: 0926-FB31139-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FB31139-01Size:100 g
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CAS Number
90-90-4
MDL Number
MFCD00000103
Smiles
Brc1ccc (cc1) C (=O) c2ccccc2
Molecular Formula
C13H9BrO
Molecular Weight
261.11 g/mol
Controlled
No

Chemical Information

4-Bromobenzophenone
CAS Number90-90-4
PubChem CID7030
IUPAC Name(4-bromophenyl)-phenylmethanone
Molecular FormulaC13H9BrO
Molecular Weight261.11
XLogP4.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity213
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKey
KEOLYBMGRQYQTN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromobenzophenone
CAS: 90-90-4
CID: 7030
Formula: C13H9BrO
MW: 261.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.11
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass259.98368
Monoisotopic Mass259.98368
Topological Polar Surface Area17.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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