3,5-Difluoro-2-nitropyridine

CAT: 0127-PC1001964-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1001964-01Size:100 mg

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CAS Number

1073634-13-5

MDL Number

MFCD18802625

Purity

98%

Smiles

O=[N+](C1=NC=C(F)C=C1F)[O-]

Chemical Information

3,5-Difluoro-2-nitropyridine

CAS Number	1073634-13-5
PubChem CID	15121315
IUPAC Name	3,5-difluoro-2-nitropyridine
Molecular Formula	C5H2F2N2O2
Molecular Weight	160.08
XLogP	1.2
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	161

SMILES

C1=C(C=NC(=C1F)[N+](=O)[O-])F

InChI

InChI=1S/C5H2F2N2O2/c6-3-1-4(7)5(8-2-3)9(10)11/h1-2H

InChIKey

ZNMBOZBJKBSSFZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1073634-13-5

CID: 15121315

Formula: C5H2F2N2O2

MW: 160.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.08
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	160.00843363
Monoisotopic Mass	160.00843363
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
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