8-iso Misoprostol

CAT: 0024-sc-223751Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-223751Size:1 mg

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CAS Number

1256643-55-6

Chemical Information

5,7-Dimethyl-2,1,3-benzoxadiazole-4-sulfonyl chloride

CAS Number	1256643-55-6
PubChem CID	51072237
IUPAC Name	5,7-dimethyl-2,1,3-benzoxadiazole-4-sulfonyl chloride
Molecular Formula	C8H7ClN2O3S
Molecular Weight	246.67
XLogP	1.9
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	342

SMILES

CC1=CC(=C(C2=NON=C12)S(=O)(=O)Cl)C

InChI

InChI=1S/C8H7ClN2O3S/c1-4-3-5(2)8(15(9,12)13)7-6(4)10-14-11-7/h3H,1-2H3

InChIKey

KFIKFRDBDZKOMA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256643-55-6

CID: 51072237

Formula: C8H7ClN2O3S

MW: 246.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.67
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	245.9865910
Monoisotopic Mass	245.9865910
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	342
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
sc-201264B	Misoprostol
sc-201264	Misoprostol
sc-201264A	Misoprostol
sc-500591	Rac-11-Deoxy-8 (12) -dehydro Misoprostol
sc-220585	11β-Misoprostol
sc-223752A	8-iso Prostaglandin E1
sc-221138A	8-iso Prostaglandin F1β
sc-221135A	8-iso Prostaglandin A2
sc-221134A	8-iso Prostaglandin A1
sc-205175A	8-iso Prostaglandin F2β

Catalog	Name
TRC-I821345-5MG	8-iso Misoprostol
008062	Rac-11-Deoxy-8 (12) -dehydro Misoprostol
MBS6074262-01	rac-11-Deoxy-8(12)-dehydro Misoprostol
440103	8-des (6-Carbomethoxy-hexyl) 8- (Carboxypropyl-d4) Misoprostol
TRC-T305887-25MG	8-des(6-Carbomethoxy-hexyl) 8-(Carboxypropyl-d4) Misoprostol
318281	Misoprostol