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123574-95-8 | 1,2-Benzisoxazol-6-ol, 5-chloro-3-phenyl-
CAS No: 123574-95-8 Catalog No: AG000KTC MDL No:
Product Description
Catalog Number:
AG000KTC
Chemical Name:
1,2-Benzisoxazol-6-ol, 5-chloro-3-phenyl-
CAS Number:
123574-95-8
Molecular Formula:
C13H8ClNO2
Molecular Weight:
245.6611
IUPAC Name:
5-chloro-3-phenyl-1,2-benzoxazol-6-ol
InChI:
InChI=1S/C13H8ClNO2/c14-10-6-9-12(7-11(10)16)17-15-13(9)8-4-2-1-3-5-8/h1-7,16H
InChI Key:
DWWHUUYHFFNPKV-UHFFFAOYSA-N
SMILES:
Oc1cc2onc(c2cc1Cl)c1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.662g/mol
Monoisotopic Mass:
245.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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