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Home > Bromides > 1022092-10-9
1022092-10-9 | 6-Quinolineacetic acid, 3-bromo-5,7-difluoro-, methyl ester
CAS No: 1022092-10-9 Catalog No: AG0006X3 MDL No:
Product Description
Catalog Number:
AG0006X3
Chemical Name:
6-Quinolineacetic acid, 3-bromo-5,7-difluoro-, methyl ester
CAS Number:
1022092-10-9
Molecular Formula:
C12H8BrF2NO2
Molecular Weight:
316.0982
IUPAC Name:
methyl 2-(3-bromo-5,7-difluoroquinolin-6-yl)acetate
InChI:
InChI=1S/C12H8BrF2NO2/c1-18-11(17)3-7-9(14)4-10-8(12(7)15)2-6(13)5-16-10/h2,4-5H,3H2,1H3
InChI Key:
MPCQCUFHOYNRSM-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c(F)cc2c(c1F)cc(cn2)Br
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.971g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.102g/mol
Monoisotopic Mass:
314.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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