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83443-84-9 | METHYL (2E)-3-(4-OXO-4H-[1,3]THIAZINO[3,2-A]BENZIMIDAZOL-2-YL)ACRYLATE
CAS No: 83443-84-9 Catalog No: AG004ROO MDL No:
Product Description
Catalog Number:
AG004ROO
Chemical Name:
METHYL (2E)-3-(4-OXO-4H-[1,3]THIAZINO[3,2-A]BENZIMIDAZOL-2-YL)ACRYLATE
CAS Number:
83443-84-9
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
IUPAC Name:
methyl (E)-3-(4-oxo-[1,3]thiazino[3,2-a]benzimidazol-2-yl)prop-2-enoate
InChI:
InChI=1S/C14H10N2O3S/c1-19-13(18)7-6-9-8-12(17)16-11-5-3-2-4-10(11)15-14(16)20-9/h2-8H,1H3/b7-6+
InChI Key:
ANJVOVCAZIXIPA-VOTSOKGWSA-N
SMILES:
COC(=O)/C=C/c1cc(=O)n2c(s1)nc1c2cccc1
NSC Number:
371813
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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