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1-Bromo-4-fluorobenzene

CAT: 0063-90027873Size: 100 gDry Ice: NoHazardous: No
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CAT#:0063-90027873Size:100 g
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CAS Number
460-00-4

Chemical Information

1-Bromo-4-fluorobenzene

1-bromo-4-fluorobenzene is a member of the class of bromobenzenes that is bromobenzene carrying a fluoro atom at position 4. It is a member of bromobenzenes and a member of monofluorobenzenes.

CAS Number460-00-4
PubChem CID9993
IUPAC Name1-bromo-4-fluorobenzene
Molecular FormulaC6H4BrF
Molecular Weight175.00
XLogP3.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity66
SMILES
C1=CC(=CC=C1F)Br
InChI
InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey
AITNMTXHTIIIBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-4-fluorobenzene
CAS: 460-00-4
CID: 9993
Formula: C6H4BrF
MW: 175.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.00
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass173.94804
Monoisotopic Mass173.94804
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.9
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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Alternative Products

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AR-B02382-011-Bromo-4-fluorobenzene
S-593-HEX1-Bromo-4-fluorobenzene - EACH
HY-I0202S-011-Bromo-4-fluorobenzene-d4
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