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5-Chlorovaleryl chloride

CAT: 0127-OR1011863-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1011863-01Size:25 g
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CAS Number
1575-61-7
MDL Number
MFCD00000758
Purity
98%
Smiles
O=C(Cl)CCCCCl

Chemical Information

5-Chlorovaleryl chloride

an alkylating agent; structure in first source

CAS Number1575-61-7
PubChem CID74089
IUPAC Name5-chloropentanoyl chloride
Molecular FormulaC5H8Cl2O
Molecular Weight155.02
XLogP2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
C(CCCl)CC(=O)Cl
InChI
InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey
SVNNWKWHLOJLOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chlorovaleryl chloride
CAS: 1575-61-7
CID: 74089
Formula: C5H8Cl2O
MW: 155.02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.02
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass153.9952203
Monoisotopic Mass153.9952203
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes