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Home > Bromides > 1416712-98-5
1416712-98-5 | Isoquinoline, 6-bromo-1-methyl-
CAS No: 1416712-98-5 Catalog No: AG001GUF MDL No:MFCD22689696
Product Description
Catalog Number:
AG001GUF
Chemical Name:
Isoquinoline, 6-bromo-1-methyl-
CAS Number:
1416712-98-5
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
MDL Number:
MFCD22689696
IUPAC Name:
6-bromo-1-methylisoquinoline
InChI:
InChI=1S/C10H8BrN/c1-7-10-3-2-9(11)6-8(10)4-5-12-7/h2-6H,1H3
InChI Key:
VVPVVAXYQGMUEU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ccnc2C
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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