4-Azido-3-nitrophenol

CAT: 0926-GAA08633-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GAA08633-01Size:50 mg

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CAS Number

6086-33-5

Smiles

C1=CC (=C (C=C1O) [N+] (=O) [O-]) N=[N+]=[N-]

Molecular Formula

C6H4N4O3

Molecular Weight

180.12 g/mol

Controlled

Chemical Information

4-Azido-3-nitrophenol

CAS Number	6086-33-5
PubChem CID	121553366
IUPAC Name	4-azido-3-nitrophenol
Molecular Formula	C6H4N4O3
Molecular Weight	180.12
XLogP	2.3
Topological Polar Surface Area	80.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	245

SMILES

C1=CC(=C(C=C1O)[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C6H4N4O3/c7-9-8-5-2-1-4(11)3-6(5)10(12)13/h1-3,11H

InChIKey

QZSRALKCZPBKBB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6086-33-5

CID: 121553366

Formula: C6H4N4O3

MW: 180.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.12
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	180.02834000
Monoisotopic Mass	180.02834000
Topological Polar Surface Area	80.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	245
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