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1219845-00-7 | 4,6-Difluoro-N-(pyridin-4-ylmethyl)benzo[d]thiazol-2-amine
CAS No: 1219845-00-7 Catalog No: AG01FM0A MDL No:MFCD16631668
Product Description
Catalog Number:
AG01FM0A
Chemical Name:
4,6-Difluoro-N-(pyridin-4-ylmethyl)benzo[d]thiazol-2-amine
CAS Number:
1219845-00-7
Molecular Formula:
C13H9F2N3S
Molecular Weight:
277.2925
MDL Number:
MFCD16631668
IUPAC Name:
4,6-difluoro-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C13H9F2N3S/c14-9-5-10(15)12-11(6-9)19-13(18-12)17-7-8-1-3-16-4-2-8/h1-6H,7H2,(H,17,18)
InChI Key:
BOJZFYMXMNKLBU-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c2c(c1)sc(n2)NCc1ccncc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.293g/mol
Monoisotopic Mass:
277.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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