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2-Chloropropionitrile

CAT: 0024-sc-225320Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-225320Size:5 g
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CAS Number
1617-17-0

Chemical Information

2-Chloropropionitrile
CAS Number1617-17-0
PubChem CID519225
IUPAC Name2-chloropropanenitrile
Molecular FormulaC3H4ClN
Molecular Weight89.52
XLogP1
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count5
Formal Charge0
Complexity60
SMILES
CC(C#N)Cl
InChI
InChI=1S/C3H4ClN/c1-3(4)2-5/h3H,1H3
InChIKey
JNAYPRPPXRWGQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloropropionitrile
CAS: 1617-17-0
CID: 519225
Formula: C3H4ClN
MW: 89.52
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight89.52
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass89.0032268
Monoisotopic Mass89.0032268
Topological Polar Surface Area23.8 Ų
Heavy Atom Count5
Formal Charge0
Complexity60.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes