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921744-12-9 | Ethanone, 2-bromo-1-(3-nitrophenyl)-, oxime
CAS No: 921744-12-9 Catalog No: AG006GQ4 MDL No:
Product Description
Catalog Number:
AG006GQ4
Chemical Name:
Ethanone, 2-bromo-1-(3-nitrophenyl)-, oxime
CAS Number:
921744-12-9
Molecular Formula:
C8H7BrN2O3
Molecular Weight:
259.0568
IUPAC Name:
N-[2-bromo-1-(3-nitrophenyl)ethylidene]hydroxylamine
InChI:
InChI=1S/C8H7BrN2O3/c9-5-8(10-12)6-2-1-3-7(4-6)11(13)14/h1-4,12H,5H2
InChI Key:
LIKBOPQQBAYCTO-UHFFFAOYSA-N
SMILES:
ON=C(c1cccc(c1)[N+](=O)[O-])CBr
Properties
Complexity:
239
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:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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