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4-Bromo-3-fluoroaniline

CAT: 0572-TRC-B684550-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B684550-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
656-65-5
Synonyms
3-Fluoro-4-bromoaniline; 4-Bromo-3-fluoroaniline; 4-Bromo-3-fluorobenzenamine; 4-Bromo-3-fluorophenylamine;
Hazard Statement
No Data Available
Smiles
Nc1ccc(Br)c(F)c1
Molecular Formula
C6H5BrFN
Molecular Weight
190.01
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Bromo-3-fluoroaniline
CAS Number656-65-5
PubChem CID821848
IUPAC Name4-bromo-3-fluoroaniline
Molecular FormulaC6H5BrFN
Molecular Weight190.01
XLogP2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=CC(=C(C=C1N)F)Br
InChI
InChI=1S/C6H5BrFN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey
YTMVYYAKOPIJCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-3-fluoroaniline
CAS: 656-65-5
CID: 821848
Formula: C6H5BrFN
MW: 190.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.01
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass188.95894
Monoisotopic Mass188.95894
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
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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