Home Other Building Blocks PHENOL, 2-[5-(CHLOROMETHYL)-1,3,4-OXADIAZOL-2-YL]

PHENOL, 2-[5-(CHLOROMETHYL)-1,3,4-OXADIAZOL-2-YL]

CAS No.:
329213-07-2
Catalog Number:
AG01BTXN
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
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Product Description
Catalog Number:
AG01BTXN
Chemical Name:
PHENOL, 2-[5-(CHLOROMETHYL)-1,3,4-OXADIAZOL-2-YL]
CAS Number:
329213-07-2
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
MDL Number:
MFCD01417452
IUPAC Name:
2-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenol
InChI:
InChI=1S/C9H7ClN2O2/c10-5-8-11-12-9(14-8)6-3-1-2-4-7(6)13/h1-4,13H,5H2
InChI Key:
JIZCIDTXTBDEEH-UHFFFAOYSA-N
SMILES:
ClCc1nnc(o1)c1ccccc1O
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