N- (2-Hydroxy-4-nitrophenyl) acetamide

CAT: 0127-OR75974Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

25351-89-7

MDL Number

MFCD00219839

Purity

98%

Smiles

OC1=C(NC(C)=O)C=CC([N+]([O-])=O)=C1

Chemical Information

N-(2-Hydroxy-4-nitrophenyl)acetamide

CAS Number	25351-89-7
PubChem CID	3749260
IUPAC Name	N-(2-hydroxy-4-nitrophenyl)acetamide
Molecular Formula	C8H8N2O4
Molecular Weight	196.16
XLogP	0.2
Topological Polar Surface Area	95.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	238

SMILES

CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C8H8N2O4/c1-5(11)9-7-3-2-6(10(13)14)4-8(7)12/h2-4,12H,1H3,(H,9,11)

InChIKey

VVVCUZJRBFEICS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25351-89-7

CID: 3749260

Formula: C8H8N2O4

MW: 196.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.16
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	196.04840674
Monoisotopic Mass	196.04840674
Topological Polar Surface Area	95.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	238
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

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