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Home > Bromides > 1146298-61-4
1146298-61-4 | Isoquinoline, 5-bromo-6-methyl-
CAS No: 1146298-61-4 Catalog No: AG000EVM MDL No:MFCD09264577
Product Description
Catalog Number:
AG000EVM
Chemical Name:
Isoquinoline, 5-bromo-6-methyl-
CAS Number:
1146298-61-4
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
MDL Number:
MFCD09264577
IUPAC Name:
5-bromo-6-methylisoquinoline
InChI:
InChI=1S/C10H8BrN/c1-7-2-3-8-6-12-5-4-9(8)10(7)11/h2-6H,1H3
InChI Key:
CAZBCNFFPBHCRW-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1Br)ccnc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.085g/mol
Monoisotopic Mass:
220.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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