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136742-04-6 | 6-Benzoxazolol, 5-chloro-2-phenyl-
CAS No: 136742-04-6 Catalog No: AG0012AP MDL No:
Product Description
Catalog Number:
AG0012AP
Chemical Name:
6-Benzoxazolol, 5-chloro-2-phenyl-
CAS Number:
136742-04-6
Molecular Formula:
C13H8ClNO2
Molecular Weight:
245.6611
IUPAC Name:
5-chloro-2-phenyl-1,3-benzoxazol-6-ol
InChI:
InChI=1S/C13H8ClNO2/c14-9-6-10-12(7-11(9)16)17-13(15-10)8-4-2-1-3-5-8/h1-7,16H
InChI Key:
IVBUMMCLIHGEND-UHFFFAOYSA-N
SMILES:
Clc1cc2nc(oc2cc1O)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:
3.7
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