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3315-19-3 | 4-(1,3-benzoxazol-2-yl)benzenol
CAS No: 3315-19-3 Catalog No: AG00CNFG MDL No:MFCD00168897
Product Description
Catalog Number:
AG00CNFG
Chemical Name:
4-(1,3-benzoxazol-2-yl)benzenol
CAS Number:
3315-19-3
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
MDL Number:
MFCD00168897
IUPAC Name:
4-(1,3-benzoxazol-2-yl)phenol
InChI:
InChI=1S/C13H9NO2/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
InChI Key:
PDQPTWHZKVUJQX-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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