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885270-51-9 | 6-Fluorothiochroman-3-amine
CAS No: 885270-51-9 Catalog No: AG004775 MDL No:MFCD04114512
Product Description
Catalog Number:
AG004775
Chemical Name:
6-Fluorothiochroman-3-amine
CAS Number:
885270-51-9
Molecular Formula:
C9H10FNS
Molecular Weight:
183.2458
MDL Number:
MFCD04114512
IUPAC Name:
6-fluoro-3,4-dihydro-2H-thiochromen-3-amine
InChI:
InChI=1S/C9H10FNS/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3,8H,4-5,11H2
InChI Key:
WMEAVTJJSGQCND-UHFFFAOYSA-N
SMILES:
NC1Cc2cc(F)ccc2SC1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.244g/mol
Monoisotopic Mass:
183.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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