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954216-03-6 | 5-Bromo-N-(furan-2-ylmethyl);-3-nitropyridin-2-amine
CAS No: 954216-03-6 Catalog No: AG003MKB MDL No:MFCD09862918
Product Description
Catalog Number:
AG003MKB
Chemical Name:
5-Bromo-N-(furan-2-ylmethyl);-3-nitropyridin-2-amine
CAS Number:
954216-03-6
Molecular Formula:
C10H8BrN3O3
Molecular Weight:
298.0928
MDL Number:
MFCD09862918
IUPAC Name:
5-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine
InChI:
InChI=1S/C10H8BrN3O3/c11-7-4-9(14(15)16)10(12-5-7)13-6-8-2-1-3-17-8/h1-5H,6H2,(H,12,13)
InChI Key:
PGBJOWJPJLEDIJ-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(c1)[N+](=O)[O-])NCc1ccco1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.975g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.096g/mol
Monoisotopic Mass:
296.975g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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