Home Halogens 4-Quinolineacetic acid, 2-bromo-, methyl ester

4-Quinolineacetic acid, 2-bromo-, methyl ester

CAS No.:
1620955-59-0
Catalog Number:
AG001SQL
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
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Product Description
Catalog Number:
AG001SQL
Chemical Name:
4-Quinolineacetic acid, 2-bromo-, methyl ester
CAS Number:
1620955-59-0
Molecular Formula:
C12H10BrNO2
Molecular Weight:
280.1173
MDL Number:
MFCD30719396
IUPAC Name:
methyl 2-(2-bromoquinolin-4-yl)acetate
InChI:
InChI=1S/C12H10BrNO2/c1-16-12(15)7-8-6-11(13)14-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3
InChI Key:
GKQWOMGVADQJTI-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc(Br)nc2c1cccc2
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:
3  
Properties