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Home > Bromides > 1949816-31-2
1949816-31-2 | Methyl 2-(6-chloro-2-iminobenzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS No: 1949816-31-2 Catalog No: AG01FN4A MDL No:MFCD26940471
Product Description
Catalog Number:
AG01FN4A
Chemical Name:
Methyl 2-(6-chloro-2-iminobenzo[d]thiazol-3(2H)-yl)acetate hydrobromide
CAS Number:
1949816-31-2
Molecular Formula:
C10H10BrClN2O2S
Molecular Weight:
337.6206
MDL Number:
MFCD26940471
IUPAC Name:
methyl 2-(6-chloro-2-imino-1,3-benzothiazol-3-yl)acetate;hydrobromide
InChI:
InChI=1S/C10H9ClN2O2S.BrH/c1-15-9(14)5-13-7-3-2-6(11)4-8(7)16-10(13)12;/h2-4,12H,5H2,1H3;1H
InChI Key:
GHTDMSMUZBMQSU-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1c(=N)sc2c1ccc(c2)Cl.Br
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.933g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.616g/mol
Monoisotopic Mass:
335.933g/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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