1-Bromo-4-Ethyloctane

CAT: 0127-OR1028450-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1028450-01Size:100 mg

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CAS Number

306972-63-4

Synonyms

1-bromo-4-ethyloctane

Purity

97%

Smiles

CCCCC(CC)CCCBr

Chemical Information

1-Bromo-4-ethyloctane

CAS Number	306972-63-4
PubChem CID	63512458
IUPAC Name	1-bromo-4-ethyloctane
Molecular Formula	C10H21Br
Molecular Weight	221.18
XLogP	5.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	7
Heavy Atom Count	11
Formal Charge	0
Complexity	71

SMILES

CCCCC(CC)CCCBr

InChI

InChI=1S/C10H21Br/c1-3-5-7-10(4-2)8-6-9-11/h10H,3-9H2,1-2H3

InChIKey

ANXSXROUMJEOLH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 306972-63-4

CID: 63512458

Formula: C10H21Br

MW: 221.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.18
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	7
Exact Mass	220.08266
Monoisotopic Mass	220.08266
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	71.3
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

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