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1157454-73-3 | 2-Benzothiazolamine, 7-bromo-4-methyl-
CAS No: 1157454-73-3 Catalog No: AG000GT3 MDL No:
Product Description
Catalog Number:
AG000GT3
Chemical Name:
2-Benzothiazolamine, 7-bromo-4-methyl-
CAS Number:
1157454-73-3
Molecular Formula:
C8H7BrN2S
Molecular Weight:
243.1236
IUPAC Name:
7-bromo-4-methyl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H7BrN2S/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChI Key:
YSELEMFWTDAHPP-UHFFFAOYSA-N
SMILES:
Nc1sc2c(n1)c(C)ccc2Br
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.951g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.122g/mol
Monoisotopic Mass:
241.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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