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3-Chloroiodobenzene

CAT: 0572-TRC-C349590-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C349590-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
625-99-0
Synonyms
1-Chloro-3-iodobenzene; 1-Iodo-3-chlorobenzene; 3-Chloro-1-iodobenzene; 3-Chloroiodobenzene; 3-Chlorophenyl iodide; 3-Iodochlorobenzene; NSC 32861; m-Chloroiodobenzene; m-Chloroiodobenzene; m-Chlorophenyl iodide;
Hazard Statement
No Data Available
Smiles
COC1C(O)[C@@H](COC(c2ccccc2)(c3ccc(OC)cc3)c4cccc(OC)c4)O[C@H]1N5C=C(C)C(=O)NC5=O
Molecular Formula
C32 H34 N2 O8
Molecular Weight
574.621
InChI
InChI=1S/C32H34N2O8/c1-20-18-34(31(37)33-29(20)36)30-28(40-4)27(35)26(42-30)19-41-32(21-9-6-5-7-10-21,22-13-15-24(38-2)16-14-22)23-11-8-12-25(17-23)39-3/h5-18,26-28,30,35H,19H2,1-4H3,(H,33,36,37)/t26-,27?,28?,30-,32?/m1/s1
Additionnal Information
IUPAC name: 1-[(2R,5R)-4-hydroxy-3-methoxy-5-[[(3-methoxyphenyl)-(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Shipping Conditions
Room Temperature

Chemical Information

1-Chloro-3-iodobenzene
CAS Number625-99-0
PubChem CID12269
IUPAC Name1-chloro-3-iodobenzene
Molecular FormulaC6H4ClI
Molecular Weight238.45
XLogP3.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
C1=CC(=CC(=C1)I)Cl
InChI
InChI=1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
JMLWXCJXOYDXRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-3-iodobenzene
CAS: 625-99-0
CID: 12269
Formula: C6H4ClI
MW: 238.45
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.45
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass237.90463
Monoisotopic Mass237.90463
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
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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