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1351654-38-0 | Ethyl 2-(4,6-difluoro-2-iminobenzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS No: 1351654-38-0 Catalog No: AG01FN2P MDL No:MFCD22587722
Product Description
Catalog Number:
AG01FN2P
Chemical Name:
Ethyl 2-(4,6-difluoro-2-iminobenzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS Number:
1351654-38-0
Molecular Formula:
C11H11BrF2N2O2S
Molecular Weight:
353.1830
MDL Number:
MFCD22587722
IUPAC Name:
ethyl 2-(4,6-difluoro-2-imino-1,3-benzothiazol-3-yl)acetate;hydrobromide
InChI:
InChI=1S/C11H10F2N2O2S.BrH/c1-2-17-9(16)5-15-10-7(13)3-6(12)4-8(10)18-11(15)14;/h3-4,14H,2,5H2,1H3;1H
InChI Key:
BXFQVSSVBMTVTA-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1c(=N)sc2c1c(F)cc(c2)F.Br
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.969g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.182g/mol
Monoisotopic Mass:
351.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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