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Home > Bromides > 1022091-89-9
1022091-89-9 | 6-Quinolineacetic acid, 3-bromo-, methyl ester
CAS No: 1022091-89-9 Catalog No: AG0006X5 MDL No:MFCD26398873
Product Description
Catalog Number:
AG0006X5
Chemical Name:
6-Quinolineacetic acid, 3-bromo-, methyl ester
CAS Number:
1022091-89-9
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD26398873
IUPAC Name:
methyl 2-(3-bromoquinolin-6-yl)acetate
InChI:
InChI=1S/C12H10BrNO2/c1-16-12(15)5-8-2-3-11-9(4-8)6-10(13)7-14-11/h2-4,6-7H,5H2,1H3
InChI Key:
YOLWDFNEQGOTLV-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc2c(c1)cc(cn2)Br
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.989g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.121g/mol
Monoisotopic Mass:
278.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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