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1823335-91-6 | Quinoline, 7-bromo-3-nitro-
CAS No: 1823335-91-6 Catalog No: AG0023NI MDL No:
Product Description
Catalog Number:
AG0023NI
Chemical Name:
Quinoline, 7-bromo-3-nitro-
CAS Number:
1823335-91-6
Molecular Formula:
C9H5BrN2O2
Molecular Weight:
253.0522
IUPAC Name:
7-bromo-3-nitroquinoline
InChI:
InChI=1S/C9H5BrN2O2/c10-7-2-1-6-3-8(12(13)14)5-11-9(6)4-7/h1-5H
InChI Key:
MIRDKKJRMLHPTN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)ncc(c2)[N+](=O)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.055g/mol
Monoisotopic Mass:
251.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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