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125786-48-3 | Benzoxazole, 2-(2,5-dichlorophenyl)-
CAS No: 125786-48-3 Catalog No: AG000ORB MDL No:
Product Description
Catalog Number:
AG000ORB
Chemical Name:
Benzoxazole, 2-(2,5-dichlorophenyl)-
CAS Number:
125786-48-3
Molecular Formula:
C13H7Cl2NO
Molecular Weight:
264.1068
IUPAC Name:
2-(2,5-dichlorophenyl)-1,3-benzoxazole
InChI:
InChI=1S/C13H7Cl2NO/c14-8-5-6-10(15)9(7-8)13-16-11-3-1-2-4-12(11)17-13/h1-7H
InChI Key:
JYDADDZMIMTQPX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)c1nc2c(o1)cccc2)Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.99g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.105g/mol
Monoisotopic Mass:
262.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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