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143874-02-6 | Benzoxazole, 5-chloro-2-[5-(6-chloro-2-benzoxazolyl)-2-thienyl]-
CAS No: 143874-02-6 Catalog No: AG001IIU MDL No:
Product Description
Catalog Number:
AG001IIU
Chemical Name:
Benzoxazole, 5-chloro-2-[5-(6-chloro-2-benzoxazolyl)-2-thienyl]-
CAS Number:
143874-02-6
Molecular Formula:
C18H8Cl2N2O2S
Molecular Weight:
387.2393
IUPAC Name:
5-chloro-2-[5-(6-chloro-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
InChI:
InChI=1S/C18H8Cl2N2O2S/c19-9-2-4-13-12(7-9)22-18(23-13)16-6-5-15(25-16)17-21-11-3-1-10(20)8-14(11)24-17/h1-8H
InChI Key:
FWHRGJHEOGMXPB-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)oc(n2)c1ccc(s1)c1oc2c(n1)cc(cc2)Cl
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.968g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.234g/mol
Monoisotopic Mass:
385.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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