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Home > Bromides > 1810070-25-7
1810070-25-7 | Isoquinoline, 6-bromo-, hydrochloride (1:1)
CAS No: 1810070-25-7 Catalog No: AG0022L0 MDL No:
Product Description
Catalog Number:
AG0022L0
Chemical Name:
Isoquinoline, 6-bromo-, hydrochloride (1:1)
CAS Number:
1810070-25-7
Molecular Formula:
C9H7BrClN
Molecular Weight:
244.5156
IUPAC Name:
6-bromoisoquinoline;hydrochloride
InChI:
InChI=1S/C9H6BrN.ClH/c10-9-2-1-8-6-11-4-3-7(8)5-9;/h1-6H;1H
InChI Key:
NNGJJGYJBKXZGW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccnc2.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.516g/mol
Monoisotopic Mass:
242.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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