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123119-68-6 | Benzoxazole, 5-chloro-2-(2-furanyl)-
CAS No: 123119-68-6 Catalog No: AG000K1L MDL No:
Product Description
Catalog Number:
AG000K1L
Chemical Name:
Benzoxazole, 5-chloro-2-(2-furanyl)-
CAS Number:
123119-68-6
Molecular Formula:
C11H6ClNO2
Molecular Weight:
219.6238
IUPAC Name:
5-chloro-2-(furan-2-yl)-1,3-benzoxazole
InChI:
InChI=1S/C11H6ClNO2/c12-7-3-4-9-8(6-7)13-11(15-9)10-2-1-5-14-10/h1-6H
InChI Key:
WIRPQNBGAHXHGX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(o2)c1ccco1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.009g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.624g/mol
Monoisotopic Mass:
219.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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