8-Bromo-5-nitroquinoline

CAT: 0024-sc-300108ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-300108ASize:1 g

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CAS Number

139366-35-1

Chemical Information

8-Bromo-5-nitroquinoline

CAS Number	139366-35-1
PubChem CID	15709182
IUPAC Name	8-bromo-5-nitroquinoline
Molecular Formula	C9H5BrN2O2
Molecular Weight	253.05
XLogP	3.1
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	231

SMILES

C1=CC2=C(C=CC(=C2N=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C9H5BrN2O2/c10-7-3-4-8(12(13)14)6-2-1-5-11-9(6)7/h1-5H

InChIKey

LEMUPVPKQOTZAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 139366-35-1

CID: 15709182

Formula: C9H5BrN2O2

MW: 253.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.05
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	251.95344
Monoisotopic Mass	251.95344
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231
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
sc-299962	6-Bromo-5-nitroquinoline
sc-299962A	6-Bromo-5-nitroquinoline
sc-351630A	8-methoxy-5-nitroquinoline
sc-233708B	8-Hydroxy-5-nitroquinoline
sc-351570	8- (bromomethyl) -5-nitroquinoline
sc-300129	8-Ethylamino-5-nitroquinoline
sc-233708	8-Hydroxy-5-nitroquinoline
sc-233708A	8-Hydroxy-5-nitroquinoline
sc-278175	5-chloro-8-nitroquinoline
sc-300129A	8-Ethylamino-5-nitroquinoline