Home Other Building Blocks 4-Bromoisoquinoline-5-sulphonyl chloride

4-Bromoisoquinoline-5-sulphonyl chloride

CAS No.:
127625-94-9
Catalog Number:
AG009FHI
Molecular Formula:
C9H5BrClNO2S
Molecular Weight:
306.5635
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Product Description
Catalog Number:
AG009FHI
Chemical Name:
4-Bromoisoquinoline-5-sulphonyl chloride
CAS Number:
127625-94-9
Molecular Formula:
C9H5BrClNO2S
Molecular Weight:
306.5635
MDL Number:
MFCD11052628
IUPAC Name:
4-bromoisoquinoline-5-sulfonyl chloride
InChI:
InChI=1S/C9H5BrClNO2S/c10-7-5-12-4-6-2-1-3-8(9(6)7)15(11,13)14/h1-5H
InChI Key:
DETHFQYKUHNJRY-UHFFFAOYSA-N
SMILES:
Brc1cncc2c1c(ccc2)S(=O)(=O)Cl
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.891g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.558g/mol
Monoisotopic Mass:
304.891g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties