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114990-87-3 | 6-Benzoxazolol, 4-chloro-2-phenyl-7-(2-propen-1-yl)-
CAS No: 114990-87-3 Catalog No: AG000FJD MDL No:
Product Description
Catalog Number:
AG000FJD
Chemical Name:
6-Benzoxazolol, 4-chloro-2-phenyl-7-(2-propen-1-yl)-
CAS Number:
114990-87-3
Molecular Formula:
C16H12ClNO2
Molecular Weight:
285.7250
IUPAC Name:
4-chloro-2-phenyl-7-prop-2-enyl-1,3-benzoxazol-6-ol
InChI:
InChI=1S/C16H12ClNO2/c1-2-6-11-13(19)9-12(17)14-15(11)20-16(18-14)10-7-4-3-5-8-10/h2-5,7-9,19H,1,6H2
InChI Key:
KFVXFZBACYWQDS-UHFFFAOYSA-N
SMILES:
C=CCc1c(O)cc(c2c1oc(n2)c1ccccc1)Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.727g/mol
Monoisotopic Mass:
285.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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