Lodoxamide Impurity 5

CAT: 1596-AR-L07621-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07621-01Size:10 Units

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CAS Number

61313-43-7

Molecular Formula

C7H4N4O4

Molecular Weight

208.13

API Name

Lodoxamide

Chemical Information

4-Amino-3,5-dinitrobenzonitrile

CAS Number	61313-43-7
PubChem CID	21217844
IUPAC Name	4-amino-3,5-dinitrobenzonitrile
Molecular Formula	C7H4N4O4
Molecular Weight	208.13
XLogP	1.2
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	300

SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C#N

InChI

InChI=1S/C7H4N4O4/c8-3-4-1-5(10(12)13)7(9)6(2-4)11(14)15/h1-2H,9H2

InChIKey

RGRAGCMUYDRBKB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61313-43-7

CID: 21217844

Formula: C7H4N4O4

MW: 208.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	208.13
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	208.02325462
Monoisotopic Mass	208.02325462
Topological Polar Surface Area	141 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	300
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