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Chemistry

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Also known as: 874831-34-2, Schembl12042114, Zinc95616812, Sb69406, Am807836
Molecular Formula
C10H8INO
Molecular Weight
285.08  g/mol
InChI Key
MPIDPHDYEMNABY-UHFFFAOYSA-N

CAS 874831-34-2
1 2D Structure

CAS 874831-34-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
8-iodo-4-methoxyquinoline
2.1.2 InChI
InChI=1S/C10H8INO/c1-13-9-5-6-12-10-7(9)3-2-4-8(10)11/h2-6H,1H3
2.1.3 InChI Key
MPIDPHDYEMNABY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C2C=CC=C(C2=NC=C1)I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 874831-34-2

2. Schembl12042114

3. Zinc95616812

4. Sb69406

5. Am807836

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 285.08 g/mol
Molecular Formula C10H8INO
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass284.96506 g/mol
Monoisotopic Mass284.96506 g/mol
Topological Polar Surface Area22.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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