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886497-23-0 | 4-(5-Benzothiazol-2-yl-furan-2-yl)-benzoic acid methyl ester
CAS No: 886497-23-0 Catalog No: AG01EYC4 MDL No:
Product Description
Catalog Number:
AG01EYC4
Chemical Name:
4-(5-Benzothiazol-2-yl-furan-2-yl)-benzoic acid methyl ester
CAS Number:
886497-23-0
Molecular Formula:
C19H13NO3S
Molecular Weight:
335.3764
IUPAC Name:
methyl 4-[5-(1,3-benzothiazol-2-yl)furan-2-yl]benzoate
InChI:
InChI=1S/C19H13NO3S/c1-22-19(21)13-8-6-12(7-9-13)15-10-11-16(23-15)18-20-14-4-2-3-5-17(14)24-18/h2-11H,1H3
InChI Key:
RXCBCMRRLHUPBJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1ccc(o1)c1nc2c(s1)cccc2
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.062g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.377g/mol
Monoisotopic Mass:
335.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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