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Home > Bromides > 1133115-52-2
1133115-52-2 | Methyl 8-bromo-4-chloro-5-fluoroquinoline-2-carboxylate
CAS No: 1133115-52-2 Catalog No: AG003RYW MDL No:MFCD11855872
Product Description
Catalog Number:
AG003RYW
Chemical Name:
Methyl 8-bromo-4-chloro-5-fluoroquinoline-2-carboxylate
CAS Number:
1133115-52-2
Molecular Formula:
C11H6BrClFNO2
Molecular Weight:
318.5262
MDL Number:
MFCD11855872
IUPAC Name:
methyl 8-bromo-4-chloro-5-fluoroquinoline-2-carboxylate
InChI:
InChI=1S/C11H6BrClFNO2/c1-17-11(16)8-4-6(13)9-7(14)3-2-5(12)10(9)15-8/h2-4H,1H3
InChI Key:
YMMWGEUTLGBMQW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c2c(n1)c(Br)ccc2F
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.925g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.526g/mol
Monoisotopic Mass:
316.925g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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