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2639-35-2 | Benzoxazole, 2-[2-(4-chlorophenyl)ethenyl]-5-methyl-
CAS No: 2639-35-2 Catalog No: AG002T0Z MDL No:
Product Description
Catalog Number:
AG002T0Z
Chemical Name:
Benzoxazole, 2-[2-(4-chlorophenyl)ethenyl]-5-methyl-
CAS Number:
2639-35-2
Molecular Formula:
C16H12ClNO
Molecular Weight:
269.7256
IUPAC Name:
2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-benzoxazole
InChI:
InChI=1S/C16H12ClNO/c1-11-2-8-15-14(10-11)18-16(19-15)9-5-12-3-6-13(17)7-4-12/h2-10H,1H3
InChI Key:
UTZKJDPSSYRTTH-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=Cc1nc2c(o1)ccc(c2)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.728g/mol
Monoisotopic Mass:
269.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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