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1141-35-1 | Benzoxazole, 2-(4-chlorophenyl)-
CAS No: 1141-35-1 Catalog No: AG000AKD MDL No:MFCD00453917
Product Description
Catalog Number:
AG000AKD
Chemical Name:
Benzoxazole, 2-(4-chlorophenyl)-
CAS Number:
1141-35-1
Molecular Formula:
C13H8ClNO
Molecular Weight:
229.6617
MDL Number:
MFCD00453917
IUPAC Name:
2-(4-chlorophenyl)-1,3-benzoxazole
InChI:
InChI=1S/C13H8ClNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChI Key:
NTMAGNRMERGORC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.663g/mol
Monoisotopic Mass:
229.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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