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Home > Fluorides > 145485-58-1
145485-58-1 | 6-Fluoro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
CAS No: 145485-58-1 Catalog No: AG001D3K MDL No:MFCD11977761
Product Description
Catalog Number:
AG001D3K
Chemical Name:
6-Fluoro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
CAS Number:
145485-58-1
Molecular Formula:
C10H10FNO
Molecular Weight:
179.1909
MDL Number:
MFCD11977761
IUPAC Name:
6-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
InChI:
InChI=1S/C10H10FNO/c11-8-4-2-5-9-7(8)3-1-6-10(13)12-9/h2,4-5H,1,3,6H2,(H,12,13)
InChI Key:
OISQPDAXCFWYTC-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c(N1)cccc2F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.194g/mol
Monoisotopic Mass:
179.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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