Baloxavir Marboxil Impurity 7

CAT: 1299-RM-B011507-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B011507-01Size:10 mg

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CAS Number

1985607-83-7

Synonyms

7,8-difluoro-6,11-dihydrodibenzo[b, e]thiepin-11-ol

Molecular Formula

C14H10F2OS

Molecular Weight

264.29

Target Alternative Name

Baloxavir

Product Name Synonym

7,8-difluoro-6,11-dihydrodibenzo[b, e]thiepin-11-ol

Chemical Information

7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol

CAS Number	1985607-83-7
PubChem CID	132820275
IUPAC Name	7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol
Molecular Formula	C14H10F2OS
Molecular Weight	264.29
XLogP	3
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	302

SMILES

C1C2=C(C=CC(=C2F)F)C(C3=CC=CC=C3S1)O

InChI

InChI=1S/C14H10F2OS/c15-11-6-5-8-10(13(11)16)7-18-12-4-2-1-3-9(12)14(8)17/h1-6,14,17H,7H2

InChIKey

OBEXFUFBCNVOKB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1985607-83-7

CID: 132820275

Formula: C14H10F2OS

MW: 264.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.29
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	264.04204244
Monoisotopic Mass	264.04204244
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	302
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-B011511-01	Baloxavir Marboxil Impurity 11 (Baloxavir Marboxil Enantiomer)
RM-B011538-01	Baloxavir Marboxil Impurity 29
RM-B011527-01	Baloxavir Marboxil Impurity 18
RM-B011562-01	Baloxavir Marboxil Impurity 52
RM-B011561-01	Baloxavir Marboxil Impurity 51
RM-B011546-01	Baloxavir Marboxil Impurity 37
RM-B011548-01	Baloxavir Marboxil Impurity 39
RM-B011547-01	Baloxavir Marboxil Impurity 38
RM-B011512-01	Baloxavir Marboxil Impurity 12
RM-B011540-01	Baloxavir Marboxil Impurity 31

Catalog	Name
AR-B05938-01	Baloxavir Marboxil Impurity 7
AR-B05961-01	Baloxavir Marboxil Impurity 38
AR-B05969-01	Baloxavir Marboxil Impurity 46
AR-B05946-01	Baloxavir Marboxil Impurity 19
AR-B05973-01	Baloxavir Marboxil Impurity 50
AR-B05940-01	Baloxavir Marboxil Impurity 10
AR-B05935-01	Baloxavir Marboxil Impurity 2
AR-B05968-01	Baloxavir Marboxil Impurity 45
AR-B05981-01	Baloxavir Marboxil Impurity 58
AR-B05978-01	Baloxavir Marboxil Impurity 55