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Home > Fluorides > 247050-23-3
247050-23-3 | 7-Isoquinolinesulfonyl chloride, 3-(fluoromethyl)-1,2,3,4-tetrahydro-1-oxo-
CAS No: 247050-23-3 Catalog No: AG002P3Y MDL No:
Product Description
Catalog Number:
AG002P3Y
Chemical Name:
7-Isoquinolinesulfonyl chloride, 3-(fluoromethyl)-1,2,3,4-tetrahydro-1-oxo-
CAS Number:
247050-23-3
Molecular Formula:
C10H9ClFNO3S
Molecular Weight:
277.6998
IUPAC Name:
3-(fluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonyl chloride
InChI:
InChI=1S/C10H9ClFNO3S/c11-17(15,16)8-2-1-6-3-7(5-12)13-10(14)9(6)4-8/h1-2,4,7H,3,5H2,(H,13,14)
InChI Key:
PTBHATGROQLQBV-UHFFFAOYSA-N
SMILES:
FCC1NC(=O)c2c(C1)ccc(c2)S(=O)(=O)Cl
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.998g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.694g/mol
Monoisotopic Mass:
276.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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