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74902-59-3 | Ethanone,1-(4-amino-3-nitrophenyl)-2-bromo-
CAS No: 74902-59-3 Catalog No: AG005GG9 MDL No:
Product Description
Catalog Number:
AG005GG9
Chemical Name:
Ethanone,1-(4-amino-3-nitrophenyl)-2-bromo-
CAS Number:
74902-59-3
Molecular Formula:
C8H7BrN2O3
Molecular Weight:
259.0568
IUPAC Name:
1-(4-amino-3-nitrophenyl)-2-bromoethanone
InChI:
InChI=1S/C8H7BrN2O3/c9-4-8(12)5-1-2-6(10)7(3-5)11(13)14/h1-3H,4,10H2
InChI Key:
LCFRGYUASANOFK-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.059g/mol
Monoisotopic Mass:
257.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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