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Home > Bromides > 1949836-85-4
1949836-85-4 | Methyl 2-(2-imino-5,6-dimethoxybenzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS No: 1949836-85-4 Catalog No: AG01FMZI MDL No:MFCD26940479
Product Description
Catalog Number:
AG01FMZI
Chemical Name:
Methyl 2-(2-imino-5,6-dimethoxybenzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS Number:
1949836-85-4
Molecular Formula:
C12H15BrN2O4S
Molecular Weight:
363.2275
MDL Number:
MFCD26940479
IUPAC Name:
methyl 2-(2-imino-5,6-dimethoxy-1,3-benzothiazol-3-yl)acetate;hydrobromide
InChI:
InChI=1S/C12H14N2O4S.BrH/c1-16-8-4-7-10(5-9(8)17-2)19-12(13)14(7)6-11(15)18-3;/h4-5,13H,6H2,1-3H3;1H
InChI Key:
LZZMONPPCUOMSI-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1c(=N)sc2c1cc(OC)c(c2)OC.Br
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.994g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.226g/mol
Monoisotopic Mass:
361.994g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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