Home Halogens 3-[4-(chloromethyl)-1,3-oxazol-2-yl]benzonitrile

3-[4-(chloromethyl)-1,3-oxazol-2-yl]benzonitrile

CAS No.:
1126634-12-5
Catalog Number:
AG01BR2U
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
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Product Description
Catalog Number:
AG01BR2U
Chemical Name:
3-[4-(chloromethyl)-1,3-oxazol-2-yl]benzonitrile
CAS Number:
1126634-12-5
Molecular Formula:
C11H7ClN2O
Molecular Weight:
218.6391
MDL Number:
MFCD11845228
IUPAC Name:
3-[4-(chloromethyl)-1,3-oxazol-2-yl]benzonitrile
InChI:
InChI=1S/C11H7ClN2O/c12-5-10-7-15-11(14-10)9-3-1-2-8(4-9)6-13/h1-4,7H,5H2
InChI Key:
ACIOLUROVVRODE-UHFFFAOYSA-N
SMILES:
ClCc1coc(n1)c1cccc(c1)C#N
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.64g/mol
Monoisotopic Mass:
218.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties