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127448-21-9 | 1,5-Naphthyridine-3-carboxylic acid, 7-bromo-4-chloro-, ethyl ester
CAS No: 127448-21-9 Catalog No: AG000X3F MDL No:MFCD20275585
Product Description
Catalog Number:
AG000X3F
Chemical Name:
1,5-Naphthyridine-3-carboxylic acid, 7-bromo-4-chloro-, ethyl ester
CAS Number:
127448-21-9
Molecular Formula:
C11H8BrClN2O2
Molecular Weight:
315.5504
MDL Number:
MFCD20275585
IUPAC Name:
ethyl 7-bromo-4-chloro-1,5-naphthyridine-3-carboxylate
InChI:
InChI=1S/C11H8BrClN2O2/c1-2-17-11(16)7-5-14-8-3-6(12)4-15-10(8)9(7)13/h3-5H,2H2,1H3
InChI Key:
YQUQBOGNQIZCLY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)ncc(c2)Br
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.551g/mol
Monoisotopic Mass:
313.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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