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250674-54-5 | 2,7-Naphthyridine-3-carboxylic acid, 1-bromo-, ethyl ester
CAS No: 250674-54-5 Catalog No: AG002QCS MDL No:MFCD13195338
Product Description
Catalog Number:
AG002QCS
Chemical Name:
2,7-Naphthyridine-3-carboxylic acid, 1-bromo-, ethyl ester
CAS Number:
250674-54-5
Molecular Formula:
C11H9BrN2O2
Molecular Weight:
281.1054
MDL Number:
MFCD13195338
IUPAC Name:
ethyl 1-bromo-2,7-naphthyridine-3-carboxylate
InChI:
InChI=1S/C11H9BrN2O2/c1-2-16-11(15)9-5-7-3-4-13-6-8(7)10(12)14-9/h3-6H,2H2,1H3
InChI Key:
PWMBDHCPLLGYSW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2ccncc2c(n1)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.109g/mol
Monoisotopic Mass:
279.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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