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1179761-73-9 | 4-(1,3-benzoxazol-2-yloxy)aniline
CAS No: 1179761-73-9 Catalog No: AG01AKUP MDL No:MFCD12857010
Product Description
Catalog Number:
AG01AKUP
Chemical Name:
4-(1,3-benzoxazol-2-yloxy)aniline
CAS Number:
1179761-73-9
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
MDL Number:
MFCD12857010
IUPAC Name:
4-(1,3-benzoxazol-2-yloxy)aniline
InChI:
InChI=1S/C13H10N2O2/c14-9-5-7-10(8-6-9)16-13-15-11-3-1-2-4-12(11)17-13/h1-8H,14H2
InChI Key:
MCQYHZVIZDWZLQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1nc2c(o1)cccc2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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