5-Bromovaleryl chloride

CAT: 0024-sc-233302Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-233302Size:5 g

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CAS Number

4509-90-4

Chemical Information

5-Bromovaleryl chloride

CAS Number	4509-90-4
PubChem CID	521173
IUPAC Name	5-bromopentanoyl chloride
Molecular Formula	C5H8BrClO
Molecular Weight	199.47
XLogP	2.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

C(CCBr)CC(=O)Cl

InChI

InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2

InChIKey

OKRUMSWHDWKGHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4509-90-4

CID: 521173

Formula: C5H8BrClO

MW: 199.47

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.47
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	197.94471
Monoisotopic Mass	197.94471
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.8
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
sc-476373	5-Quinoxalinesulfonyl Chloride
sc-252263	5-Chlorovaleroyl chloride
sc-252263A	5-Chlorovaleroyl chloride
sc-232149B	3,5,5-Trimethylhexanoyl chloride
sc-232149A	3,5,5-Trimethylhexanoyl chloride
sc-232149	3,5,5-Trimethylhexanoyl chloride
sc-481962	Dansyl chloride [5-Dimethylaminonaphthalene-1-sulfonyl chloride]
sc-283440	2,5-Dimethoxybenzoyl chloride
sc-238703A	3,5-Dinitrobenzyl chloride
sc-231071	2,5-Dibromobenzenesulfonyl chloride