Sertaconazole Nitrate EP Impurity B

CAT: 1299-RM-S052002-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S052002-01Size:10 mg

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CAS Number

17512-61-7

Synonyms

3- (bromomethyl) -7-chlorobenzo[b]thiophene

Molecular Formula

C9H6BrClS

Molecular Weight

261.57

Target Alternative Name

Sertaconazole

Product Name Synonym

3- (bromomethyl) -7-chlorobenzo[b]thiophene

Chemical Information

3-(Bromomethyl)-7-chlorobenzo[b]thiophene

CAS Number	17512-61-7
PubChem CID	11379988
IUPAC Name	3-(bromomethyl)-7-chloro-1-benzothiophene
Molecular Formula	C9H6BrClS
Molecular Weight	261.57
XLogP	4.1
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC2=C(C(=C1)Cl)SC=C2CBr

InChI

InChI=1S/C9H6BrClS/c10-4-6-5-12-9-7(6)2-1-3-8(9)11/h1-3,5H,4H2

InChIKey

OFKWTWJUANJQNU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17512-61-7

CID: 11379988

Formula: C9H6BrClS

MW: 261.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.57
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	259.90621
Monoisotopic Mass	259.90621
Topological Polar Surface Area	28.2 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-S052003-01	Sertaconazole Nitrate EP Impurity C
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-F052002-01	Fenticonazole nitrate EP Impurity B
RM-M031402-01	Miconazole Nitrate EP Impurity B; Econazole
RM-F052001-01	Fenticonazole Nitrate EP Impurity A; Tioconazole EP Impurity D
RM-M031403-01	Miconazole Nitrate EP Impurity C
RM-M031405-01	Miconazole Nitrate EP Impurity E
RM-M031408-01	Miconazole Nitrate EP Impurity H
RM-M031409-01	Miconazole Nitrate EP Impurity I

Catalog	Name
CS-T-52659	Sertaconazole Nitrate EP Impurity A
HY-B0736A-01	Sertaconazole (nitrate)
MBS3606907-01	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