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Home > Bromides > 1020568-10-8
1020568-10-8 | 2,4-Quinolinedicarboxylic acid, 7-bromo-, 2,4-dimethyl ester
CAS No: 1020568-10-8 Catalog No: AG0006GP MDL No:MFCD11976156
Product Description
Catalog Number:
AG0006GP
Chemical Name:
2,4-Quinolinedicarboxylic acid, 7-bromo-, 2,4-dimethyl ester
CAS Number:
1020568-10-8
Molecular Formula:
C13H10BrNO4
Molecular Weight:
324.1268
MDL Number:
MFCD11976156
IUPAC Name:
dimethyl 7-bromoquinoline-2,4-dicarboxylate
InChI:
InChI=1S/C13H10BrNO4/c1-18-12(16)9-6-11(13(17)19-2)15-10-5-7(14)3-4-8(9)10/h3-6H,1-2H3
InChI Key:
JMAARZWJHGCBDU-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2cc(Br)ccc2c(c1)C(=O)OC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.979g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.13g/mol
Monoisotopic Mass:
322.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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