Sertaconazole Nitrate EP Impurity C

CAT: 1299-RM-S052003-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S052003-01Size:10 mg

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CAS Number

142181-53-1

Synonyms

(7-chlorobenzo[b]thiophen-3-yl) methanol

Molecular Formula

C9H7ClOS

Molecular Weight

198.67

Target Alternative Name

Sertaconazole

Product Name Synonym

(7-chlorobenzo[b]thiophen-3-yl) methanol

Chemical Information

(7-Chlorobenzo[b]thiophen-3-yl)methanol

CAS Number	142181-53-1
PubChem CID	22376026
IUPAC Name	(7-chloro-1-benzothiophen-3-yl)methanol
Molecular Formula	C9H7ClOS
Molecular Weight	198.67
XLogP	2.7
Topological Polar Surface Area	48.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC2=C(C(=C1)Cl)SC=C2CO

InChI

InChI=1S/C9H7ClOS/c10-8-3-1-2-7-6(4-11)5-12-9(7)8/h1-3,5,11H,4H2

InChIKey

TZFBEHOZYXSGHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 142181-53-1

CID: 22376026

Formula: C9H7ClOS

MW: 198.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.67
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	197.9906137
Monoisotopic Mass	197.9906137
Topological Polar Surface Area	48.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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-S052002-01	Sertaconazole Nitrate EP Impurity B
RM-I130401-01	Miconazole Nitrate EP Impurity A; Miconazole EP Impurity A; Econazole EP Impurity A; Sertaconazole Nitrate EP Impurity A; Enilconazole EP Impurity E
RM-S052000-01	Sertaconazole Nitrate
RM-M031403-01	Miconazole Nitrate EP Impurity C
RM-F052003-01	Fenticonazole nitrate EP Impurity C
RM-F052001-01	Fenticonazole Nitrate EP Impurity A; Tioconazole EP Impurity D
RM-M031405-01	Miconazole Nitrate EP Impurity E
RM-M031408-01	Miconazole Nitrate EP Impurity H
RM-M031409-01	Miconazole Nitrate EP Impurity I
RM-F052005-01	Fenticonazole nitrate EP Impurity E

Catalog	Name
CS-T-52659	Sertaconazole Nitrate EP Impurity A
B1831-5.1	Sertaconazole nitrate
HY-B0736A-01	Sertaconazole (nitrate)
HY-B0736AR-01	Sertaconazole (nitrate) (Standard)
AR-S01283-01	Sertaconazole Impurity A
AR-S01284-01	Sertaconazole EP Impurity B
AR-S01285-01	Sertaconazole EP Impurity C