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188861-57-6 | Isoquinoline, 6-(bromomethyl)-, hydrobromide (1:1)
CAS No: 188861-57-6 Catalog No: AG002HFK MDL No:MFCD12022337
Product Description
Catalog Number:
AG002HFK
Chemical Name:
Isoquinoline, 6-(bromomethyl)-, hydrobromide (1:1)
CAS Number:
188861-57-6
Molecular Formula:
C10H9Br2N
Molecular Weight:
302.9932
MDL Number:
MFCD12022337
IUPAC Name:
6-(bromomethyl)isoquinoline;hydrobromide
InChI:
InChI=1S/C10H8BrN.BrH/c11-6-8-1-2-10-7-12-4-3-9(10)5-8;/h1-5,7H,6H2;1H
InChI Key:
UVADKWYZZBPGTB-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)ccnc2.Br
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.908g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.997g/mol
Monoisotopic Mass:
300.91g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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