2-Methoxy-3-nitrobenzamide

CAT: 0127-OR1041021-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1041021-01Size:100 mg

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CAS Number

722538-98-9

MDL Number

MFCD18398355

Purity

98%

Smiles

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

Chemical Information

2-Methoxy-3-nitrobenzamide

CAS Number	722538-98-9
PubChem CID	90120374
IUPAC Name	2-methoxy-3-nitrobenzamide
Molecular Formula	C8H8N2O4
Molecular Weight	196.16
XLogP	0.6
Topological Polar Surface Area	98.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	238

SMILES

COC1=C(C=CC=C1[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C8H8N2O4/c1-14-7-5(8(9)11)3-2-4-6(7)10(12)13/h2-4H,1H3,(H2,9,11)

InChIKey

VGIYIBRECHOFLC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 722538-98-9

CID: 90120374

Formula: C8H8N2O4

MW: 196.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.16
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	196.04840674
Monoisotopic Mass	196.04840674
Topological Polar Surface Area	98.1 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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