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205114-18-7 | 6-Quinolinecarboxamide, 3-bromo-
CAS No: 205114-18-7 Catalog No: AG0029VD MDL No:
Product Description
Catalog Number:
AG0029VD
Chemical Name:
6-Quinolinecarboxamide, 3-bromo-
CAS Number:
205114-18-7
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
IUPAC Name:
3-bromoquinoline-6-carboxamide
InChI:
InChI=1S/C10H7BrN2O/c11-8-4-7-3-6(10(12)14)1-2-9(7)13-5-8/h1-5H,(H2,12,14)
InChI Key:
ZPYHOZQINMJCCU-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)cc(cc2)C(=O)N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.083g/mol
Monoisotopic Mass:
249.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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