2-Bromo-4-fluoro-3-iodophenol

CAT: 0127-PC1013169Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC1013169Size:1 Each

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

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CAS Number

1805552-49-1

MDL Number

MFCD28739579

Purity

97%

Smiles

C1 (ccc (c (c1I) Br) O) F

Chemical Information

2-Bromo-4-fluoro-3-iodophenol

CAS Number	1805552-49-1
PubChem CID	119015430
IUPAC Name	2-bromo-4-fluoro-3-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=CC(=C(C(=C1O)Br)I)F

InChI

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

InChIKey

KNORVNIAUSAEAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1805552-49-1

CID: 119015430

Formula: C6H3BrFIO

MW: 316.89

Interactive 3D Structure

Loading 3D structure...

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