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145485-61-6 | 2H-1-Benzazepin-2-one, 3-amino-6-fluoro-1,3,4,5-tetrahydro-
CAS No: 145485-61-6 Catalog No: AG001D3J MDL No:
Product Description
Catalog Number:
AG001D3J
Chemical Name:
2H-1-Benzazepin-2-one, 3-amino-6-fluoro-1,3,4,5-tetrahydro-
CAS Number:
145485-61-6
Molecular Formula:
C10H11FN2O
Molecular Weight:
194.2055
IUPAC Name:
3-amino-6-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI:
InChI=1S/C10H11FN2O/c11-7-2-1-3-9-6(7)4-5-8(12)10(14)13-9/h1-3,8H,4-5,12H2,(H,13,14)
InChI Key:
MXMZKWCMCAQUQR-UHFFFAOYSA-N
SMILES:
O=C1Nc2cccc(c2CCC1N)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.209g/mol
Monoisotopic Mass:
194.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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