4-Hydroxy-6-iodo-3-nitroquinoline

CAT: 0127-OR1076221Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1076221Size:25 g

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

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CAS Number

1203578-70-4

Purity

=95%

Smiles

[O-][N+](=O)C1=CNc2ccc(I)cc2C1=O

Chemical Information

6-Iodo-3-nitroquinolin-4-ol

CAS Number	1203578-70-4
PubChem CID	87415119
IUPAC Name	6-iodo-3-nitro-1H-quinolin-4-one
Molecular Formula	C9H5IN2O3
Molecular Weight	316.05
XLogP	2.2
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	337

SMILES

C1=CC2=C(C=C1I)C(=O)C(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C9H5IN2O3/c10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15/h1-4H,(H,11,13)

InChIKey

QRNFYFWHVNIWMJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1203578-70-4

CID: 87415119

Formula: C9H5IN2O3

MW: 316.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.05
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	315.93449
Monoisotopic Mass	315.93449
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	337
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

Catalog	Name
OR962452	4-Hydroxy-6-nitroquinoline
OR52247-01	4-Hydroxy-3-nitroquinoline
OR1040272-01	6-Iodo-8-nitroquinoline
OR183509-01	Ethyl 4-hydroxy-6-nitroquinoline-3-carboxylate
OR183492-01	4-Hydroxy-6-nitroquinoline-3-carboxylic acid
OR303033	3-Iodo-8-nitroquinoline
OR13235-01	8-Hydroxy-6-nitroquinoline
OR510212	4-Hydroxy-7-methoxy-6-nitroquinoline-3-carbonitrile
PC407043	6-Fluoro-4-hydroxy-2-methyl-3-nitroquinoline
OR87896	7-Ethoxy-4-hydroxy-6-nitroquinoline-3-carbonitrile

Catalog	Name
VDC44725-01	4-Chloro-6-iodo-3-nitroquinoline
YAA43242	4-Hydroxy-6-nitroquinoline
sc-267549	4-hydroxy-6-methyl-3-nitroquinoline
sc-268330	6,7-Dimethoxy-4-hydroxy-3-nitroquinoline
007176	3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline
sc-267551	4-hydroxy-8-methyl-3-nitroquinoline
sc-268381	7-chloro-4-hydroxy-3-nitroquinoline
sc-268391	7-Fluoro-4-hydroxy-3-nitroquinoline
sc-267819	4,6-dihydroxy-3-nitroquinoline
QBA10711-01	4-Hydroxy-7-nitroquinoline-3-carboxylic acid