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121929-22-4 | 1,2-Benzisoxazole, 5-chloro-3-(1H-imidazol-1-ylmethyl)-
CAS No: 121929-22-4 Catalog No: AG0016F7 MDL No:
Product Description
Catalog Number:
AG0016F7
Chemical Name:
1,2-Benzisoxazole, 5-chloro-3-(1H-imidazol-1-ylmethyl)-
CAS Number:
121929-22-4
Molecular Formula:
C11H8ClN3O
Molecular Weight:
233.6537
IUPAC Name:
5-chloro-3-(imidazol-1-ylmethyl)-1,2-benzoxazole
InChI:
InChI=1S/C11H8ClN3O/c12-8-1-2-11-9(5-8)10(14-16-11)6-15-4-3-13-7-15/h1-5,7H,6H2
InChI Key:
VTYYSPCNDQQKAD-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(no2)Cn1cncc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.655g/mol
Monoisotopic Mass:
233.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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