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892874-41-8 | Diethyl 7-bromoquinoline-2,3-dicarboxylate
CAS No: 892874-41-8 Catalog No: AG0040ZL MDL No:
Product Description
Catalog Number:
AG0040ZL
Chemical Name:
Diethyl 7-bromoquinoline-2,3-dicarboxylate
CAS Number:
892874-41-8
Molecular Formula:
C15H14BrNO4
Molecular Weight:
352.1800
IUPAC Name:
diethyl 7-bromoquinoline-2,3-dicarboxylate
InChI:
InChI=1S/C15H14BrNO4/c1-3-20-14(18)11-7-9-5-6-10(16)8-12(9)17-13(11)15(19)21-4-2/h5-8H,3-4H2,1-2H3
InChI Key:
TWIQBJPCMUMTST-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2cc(Br)ccc2cc1C(=O)OCC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.011g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.184g/mol
Monoisotopic Mass:
351.011g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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