5-Bromo-1-pentyne

CAT: 0572-TRC-B686350-250MGSize: 250 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-B686350-250MGSize:250 mg

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CAS Number

28077-72-7

Hazard Statement

No Data Available

Smiles

BrCCCC#C

Molecular Formula

C5 H7 Br

Molecular Weight

147.01

InChI

InChI=1S/C5H7Br/c1-2-3-4-5-6/h1H,3-5H2

Additionnal Information

IUPAC name: 5-bromopent-1-yne

Shipping Conditions

Room Temperature

Chemical Information

5-Bromopent-1-yne

CAS Number	28077-72-7
PubChem CID	12117575
IUPAC Name	5-bromopent-1-yne
Molecular Formula	C5H7Br
Molecular Weight	147.01
XLogP	1.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	57

SMILES

C#CCCCBr

InChI

InChI=1S/C5H7Br/c1-2-3-4-5-6/h1H,3-5H2

InChIKey

KEKBNXAJNJSILY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28077-72-7

CID: 12117575

Formula: C5H7Br

MW: 147.01

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	147.01
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	145.97311
Monoisotopic Mass	145.97311
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	57.6
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

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