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1351620-72-8 | Methyl 2-(2-imino-4,6-dimethylbenzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS No: 1351620-72-8 Catalog No: AG01FMZ8 MDL No:MFCD22587735
Product Description
Catalog Number:
AG01FMZ8
Chemical Name:
Methyl 2-(2-imino-4,6-dimethylbenzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS Number:
1351620-72-8
Molecular Formula:
C12H15BrN2O2S
Molecular Weight:
331.2287
MDL Number:
MFCD22587735
IUPAC Name:
methyl 2-(2-imino-4,6-dimethyl-1,3-benzothiazol-3-yl)acetate;hydrobromide
InChI:
InChI=1S/C12H14N2O2S.BrH/c1-7-4-8(2)11-9(5-7)17-12(13)14(11)6-10(15)16-3;/h4-5,13H,6H2,1-3H3;1H
InChI Key:
HONOEDRSAKUZFH-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1c(=N)sc2c1c(C)cc(c2)C.Br
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.004g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.228g/mol
Monoisotopic Mass:
330.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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