3-Bromo-2-fluoro-5-iodophenol

CAT: 0127-PC1025741-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1025741-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1805591-58-5

MDL Number

MFCD28739584

Purity

97%

Smiles

C1 (c (c (cc (c1) I) O) F) Br

Chemical Information

3-Bromo-2-fluoro-5-iodophenol

CAS Number	1805591-58-5
PubChem CID	131215191
IUPAC Name	3-bromo-2-fluoro-5-iodophenol
Molecular Formula	C6H3BrFIO
Molecular Weight	316.89
XLogP	3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	124

SMILES

C1=C(C=C(C(=C1O)F)Br)I

InChI

InChI=1S/C6H3BrFIO/c7-4-1-3(9)2-5(10)6(4)8/h1-2,10H

InChIKey

BCXVCEZDFWXIGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1805591-58-5

CID: 131215191

Formula: C6H3BrFIO

MW: 316.89

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	316.89
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	315.83960
Monoisotopic Mass	315.83960
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124
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