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Home > Bromides > 1220229-87-7
1220229-87-7 | 4-Isoquinolinesulfonyl chloride, 6-bromo-1,2-dihydro-1-oxo-
CAS No: 1220229-87-7 Catalog No: AG0016MV MDL No:
Product Description
Catalog Number:
AG0016MV
Chemical Name:
4-Isoquinolinesulfonyl chloride, 6-bromo-1,2-dihydro-1-oxo-
CAS Number:
1220229-87-7
Molecular Formula:
C9H5BrClNO3S
Molecular Weight:
322.5629
IUPAC Name:
6-bromo-1-oxo-2H-isoquinoline-4-sulfonyl chloride
InChI:
InChI=1S/C9H5BrClNO3S/c10-5-1-2-6-7(3-5)8(16(11,14)15)4-12-9(6)13/h1-4H,(H,12,13)
InChI Key:
FTJUXLZAEKFPGR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(c[nH]c2=O)S(=O)(=O)Cl
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.886g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.557g/mol
Monoisotopic Mass:
320.886g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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