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Home > Bromides > 1190321-91-5
1190321-91-5 | Benzothiazole, 2,5,7-tribromo-
CAS No: 1190321-91-5 Catalog No: AG000I0I MDL No:MFCD12962846
Product Description
Catalog Number:
AG000I0I
Chemical Name:
Benzothiazole, 2,5,7-tribromo-
CAS Number:
1190321-91-5
Molecular Formula:
C7H2Br3NS
Molecular Weight:
371.8745
MDL Number:
MFCD12962846
IUPAC Name:
2,5,7-tribromo-1,3-benzothiazole
InChI:
InChI=1S/C7H2Br3NS/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H
InChI Key:
WTWKAJXHGWMBLH-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)nc(s2)Br
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.744g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.872g/mol
Monoisotopic Mass:
368.746g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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