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99821-59-7 | Ethanone, 1-[5-(bromomethyl)-2-nitrophenyl]-
CAS No: 99821-59-7 Catalog No: AG003W4E MDL No:
Product Description
Catalog Number:
AG003W4E
Chemical Name:
Ethanone, 1-[5-(bromomethyl)-2-nitrophenyl]-
CAS Number:
99821-59-7
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
IUPAC Name:
1-[5-(bromomethyl)-2-nitrophenyl]ethanone
InChI:
InChI=1S/C9H8BrNO3/c1-6(12)8-4-7(5-10)2-3-9(8)11(13)14/h2-4H,5H2,1H3
InChI Key:
NBZVFFAEWDJGHN-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)C(=O)C)[N+](=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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