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1190321-84-6 | 4-Benzothiazolamine, 2-bromo-6-methoxy-
CAS No: 1190321-84-6 Catalog No: AG000I0P MDL No:
Product Description
Catalog Number:
AG000I0P
Chemical Name:
4-Benzothiazolamine, 2-bromo-6-methoxy-
CAS Number:
1190321-84-6
Molecular Formula:
C8H7BrN2OS
Molecular Weight:
259.1230
IUPAC Name:
2-bromo-6-methoxy-1,3-benzothiazol-4-amine
InChI:
InChI=1S/C8H7BrN2OS/c1-12-4-2-5(10)7-6(3-4)13-8(9)11-7/h2-3H,10H2,1H3
InChI Key:
HASYJHCCHKJUAL-UHFFFAOYSA-N
SMILES:
COc1cc2sc(nc2c(c1)N)Br
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.946g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.121g/mol
Monoisotopic Mass:
257.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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