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Home > Bromides > 1949816-70-9
1949816-70-9 | 7-Allyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-imine hydrobromide
CAS No: 1949816-70-9 Catalog No: AG01FMQR MDL No:MFCD26940488
Product Description
Catalog Number:
AG01FMQR
Chemical Name:
7-Allyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-imine hydrobromide
CAS Number:
1949816-70-9
Molecular Formula:
C11H11BrN2O2S
Molecular Weight:
315.1862
MDL Number:
MFCD26940488
IUPAC Name:
7-prop-2-enyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-imine;hydrobromide
InChI:
InChI=1S/C11H10N2O2S.BrH/c1-2-3-13-7-4-8-9(15-6-14-8)5-10(7)16-11(13)12;/h2,4-5,12H,1,3,6H2;1H
InChI Key:
KCMNCSMVJGDMHK-UHFFFAOYSA-N
SMILES:
C=CCn1c2cc3OCOc3cc2sc1=N.Br
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.185g/mol
Monoisotopic Mass:
313.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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