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1019115-53-7 | 2-Benzothiazolamine, 7-fluoro-4-methyl-
CAS No: 1019115-53-7 Catalog No: AG0005XP MDL No:
Product Description
Catalog Number:
AG0005XP
Chemical Name:
2-Benzothiazolamine, 7-fluoro-4-methyl-
CAS Number:
1019115-53-7
Molecular Formula:
C8H7FN2S
Molecular Weight:
182.2180
IUPAC Name:
7-fluoro-4-methyl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H7FN2S/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChI Key:
ZFFMZYZWYXJQER-UHFFFAOYSA-N
SMILES:
Nc1sc2c(n1)c(C)ccc2F
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.216g/mol
Monoisotopic Mass:
182.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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