Lodoxamide Impurity 8

CAT: 1596-AR-L07624-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07624-01Size:10 Units

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CAS Number

69236-82-4

Molecular Formula

C7H7ClN2O2

Molecular Weight

186.60

API Name

Lodoxamide

Chemical Information

3,5-Diamino-4-chlorobenzoic acid

CAS Number	69236-82-4
PubChem CID	4912761
IUPAC Name	3,5-diamino-4-chlorobenzoic acid
Molecular Formula	C7H7ClN2O2
Molecular Weight	186.59
XLogP	0.7
Topological Polar Surface Area	89.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	176

SMILES

C1=C(C=C(C(=C1N)Cl)N)C(=O)O

InChI

InChI=1S/C7H7ClN2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,9-10H2,(H,11,12)

InChIKey

UPZSGWVELOYWER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69236-82-4

CID: 4912761

Formula: C7H7ClN2O2

MW: 186.59

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	186.59
XLogP3	0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	186.0196052
Monoisotopic Mass	186.0196052
Topological Polar Surface Area	89.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
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