Fulvestrant Impurity 71

CAT: 1299-RM-F121971-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F121971-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

50816-19-8

Synonyms

8-bromooctan-1-ol

Molecular Formula

C8H17BrO

Molecular Weight

209.13

Target Alternative Name

Fulvestrant

Product Name Synonym

8-bromooctan-1-ol

Chemical Information

1-Octanol, 8-bromo-

CAS Number	50816-19-8
PubChem CID	162607
IUPAC Name	8-bromooctan-1-ol
Molecular Formula	C8H17BrO
Molecular Weight	209.12
XLogP	2.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	10
Formal Charge	0
Complexity	57

SMILES

C(CCCCBr)CCCO

InChI

InChI=1S/C8H17BrO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2

InChIKey

GMXIEASXPUEOTG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50816-19-8

CID: 162607

Formula: C8H17BrO

MW: 209.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.12
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	208.04628
Monoisotopic Mass	208.04628
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	57.2
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