Home Halogens 3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenol

3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenol

CAS No.:
954586-78-8
Catalog Number:
AG01BUBS
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
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Product Description
Catalog Number:
AG01BUBS
Chemical Name:
3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenol
CAS Number:
954586-78-8
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
MDL Number:
MFCD09740914
IUPAC Name:
3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenol
InChI:
InChI=1S/C9H7ClN2O2/c10-5-8-11-12-9(14-8)6-2-1-3-7(13)4-6/h1-4,13H,5H2
InChI Key:
XNXVAQQVDSKAEH-UHFFFAOYSA-N
SMILES:
ClCc1nnc(o1)c1cccc(c1)O
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties