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210428-33-4 | 2-Benzothiazoleethanamine,6-fluoro-(9CI)
CAS No: 210428-33-4 Catalog No: AG00BLLX MDL No:MFCD10697860
Product Description
Catalog Number:
AG00BLLX
Chemical Name:
2-Benzothiazoleethanamine,6-fluoro-(9CI)
CAS Number:
210428-33-4
Molecular Formula:
C9H9FN2S
Molecular Weight:
196.2446
MDL Number:
MFCD10697860
IUPAC Name:
2-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine
InChI:
InChI=1S/C9H9FN2S/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11/h1-2,5H,3-4,11H2
InChI Key:
SYYGFKBEXGNZLQ-UHFFFAOYSA-N
SMILES:
NCCc1nc2c(s1)cc(cc2)F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.243g/mol
Monoisotopic Mass:
196.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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