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Home > Bromides > 1363382-81-3
1363382-81-3 | Ethanone, 1-(5-bromo-3-nitro-2-pyridinyl)-
CAS No: 1363382-81-3 Catalog No: AG0011QZ MDL No:
Product Description
Catalog Number:
AG0011QZ
Chemical Name:
Ethanone, 1-(5-bromo-3-nitro-2-pyridinyl)-
CAS Number:
1363382-81-3
Molecular Formula:
C7H5BrN2O3
Molecular Weight:
245.0302
IUPAC Name:
1-(5-bromo-3-nitropyridin-2-yl)ethanone
InChI:
InChI=1S/C7H5BrN2O3/c1-4(11)7-6(10(12)13)2-5(8)3-9-7/h2-3H,1H3
InChI Key:
QPUXVERERDQWCV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)cnc1C(=O)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.948g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.032g/mol
Monoisotopic Mass:
243.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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