Nifenazone 50mg

CAT: 0628-A17006-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A17006-50Size:50 mg

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CAS Number

2139-47-1

Chemical Information

Nifenazone

Nifenazone is a member of pyrazoles and a ring assembly.

CAS Number	2139-47-1
PubChem CID	4487
IUPAC Name	N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyridine-3-carboxamide
Molecular Formula	C17H16N4O2
Molecular Weight	308.33
XLogP	2
Topological Polar Surface Area	65.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	511

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)

InChIKey

BRZANEXCSZCZCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2139-47-1

CID: 4487

Formula: C17H16N4O2

MW: 308.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.33
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	308.12732577
Monoisotopic Mass	308.12732577
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	511
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
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