Home Halogens 4-(3-chloropropyl)oxane-4-carbonitrile

4-(3-chloropropyl)oxane-4-carbonitrile

CAS No.:
869591-58-2
Catalog Number:
AG01B7UV
Molecular Formula:
C9H14ClNO
Molecular Weight:
187.6666
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Product Description
Catalog Number:
AG01B7UV
Chemical Name:
4-(3-chloropropyl)oxane-4-carbonitrile
CAS Number:
869591-58-2
Molecular Formula:
C9H14ClNO
Molecular Weight:
187.6666
MDL Number:
MFCD20624700
IUPAC Name:
4-(3-chloropropyl)oxane-4-carbonitrile
InChI:
InChI=1S/C9H14ClNO/c10-5-1-2-9(8-11)3-6-12-7-4-9/h1-7H2
InChI Key:
ZIEPGZHUGOSPHH-UHFFFAOYSA-N
SMILES:
ClCCCC1(CCOCC1)C#N
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.076g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.667g/mol
Monoisotopic Mass:
187.076g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties