Chlorzoxazone Impurity 1

CAT: 1299-RG-A261864-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261864-01Size:10 mg

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CAS Number

1750-45-4

Synonyms

5-chloro-6-hydroxybenzo[d]oxazol-2 (3H) -one

Molecular Formula

C7H4ClNO3

Molecular Weight

185.56

Target Alternative Name

Chlorzoxazone

Product Name Synonym

5-chloro-6-hydroxybenzo[d]oxazol-2 (3H) -one

Chemical Information

6-Hydroxychlorzoxazone

6-Hydroxychlorzoxazone is a benzoxazole.

CAS Number	1750-45-4
PubChem CID	2734
IUPAC Name	5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
Molecular Formula	C7H4ClNO3
Molecular Weight	185.56
XLogP	1.4
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	211

SMILES

C1=C2C(=CC(=C1Cl)O)OC(=O)N2

InChI

InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)

InChIKey

AGLXDWOTVQZHIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1750-45-4

CID: 2734

Formula: C7H4ClNO3

MW: 185.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.56
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	184.9879707
Monoisotopic Mass	184.9879707
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	211
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

Catalog	Name
RM-C355002-01	Chlorzoxazone Impurity 2
RM-C355000-01	Chlorzoxazone
RM-I210627-01	Ramelteon Impurity 1 ; Ibuprofen Impurity 1
RM-D270002-01	Denaverine Impurity 1; Pargeverine Impurity 1
RM-K200336-01	Ketoconazole Impurity 36; Itraconazole Impurity 1
RM-V192110-01	Valsartan Impurity 110 ; Sacubitril Impurity 1
RM-S132255-01	Simvastatin Impurity 8; Pravastatin Impurity 1
RM-A220166-01	Avatrombopag Impurity 66; Piperazine Impurity 1
RM-M050901-01	Methimazole Impurity 1; Thiamazole EP Impurity A
RM-P201667-01	Pantoprazole Impurity 41; Omeprazole Impurity 1

Catalog	Name
AR-C02566-01	Chlorzoxazone Dimer Impurity
AR-C07277-01	Chlorzoxazone Impurity 3
AR-C07276-01	Chlorzoxazone Impurity 2
AR-C07275-01	Chlorzoxazone Impurity 1
AR-C09061-01	Chlorzoxazone 2-Hydroxy Impurity
FC20416	Chlorzoxazone