7-Bromo-3-iodoquinoline

CAT: 0127-OR1046080-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1046080-01Size:100 mg

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

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CAS Number

1416440-61-3

MDL Number

MFCD22690581

Purity

95%

Smiles

IC1=CC2=CC=C(Br)C=C2N=C1

Chemical Information

7-Bromo-3-iodoquinoline

CAS Number	1416440-61-3
PubChem CID	71743003
IUPAC Name	7-bromo-3-iodoquinoline
Molecular Formula	C9H5BrIN
Molecular Weight	333.95
XLogP	3.6
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC(=CC2=NC=C(C=C21)I)Br

InChI

InChI=1S/C9H5BrIN/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-5H

InChIKey

SJYDYCSOXGKFPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1416440-61-3

CID: 71743003

Formula: C9H5BrIN

MW: 333.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.95
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	332.86501
Monoisotopic Mass	332.86501
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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