JMJD7-IN-1

CAT: 0607-BA4800-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4800-5Size:5 mg

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

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CAS Number

311316-96-8

Form

A solid

Molecular Formula

C16H8Cl2N2O4

Molecular Weight

363.15

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

5-Nitroquinolin-8-yl 2,4-dichlorobenzoate

CAS Number	311316-96-8
PubChem CID	1514078
IUPAC Name	(5-nitroquinolin-8-yl) 2,4-dichlorobenzoate
Molecular Formula	C16H8Cl2N2O4
Molecular Weight	363.1
XLogP	4.7
Topological Polar Surface Area	85
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	487

SMILES

C1=CC2=C(C=CC(=C2N=C1)OC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H8Cl2N2O4/c17-9-3-4-10(12(18)8-9)16(21)24-14-6-5-13(20(22)23)11-2-1-7-19-15(11)14/h1-8H

InChIKey

YKPUGYXWOBGQLL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 311316-96-8

CID: 1514078

Formula: C16H8Cl2N2O4

MW: 363.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.1
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	361.9861121
Monoisotopic Mass	361.9861121
Topological Polar Surface Area	85 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	487
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