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127413-59-6 | Ethanone, 1-(3-bromo-5-nitrophenyl)-
CAS No: 127413-59-6 Catalog No: AG000X1U MDL No:MFCD20923634
Product Description
Catalog Number:
AG000X1U
Chemical Name:
Ethanone, 1-(3-bromo-5-nitrophenyl)-
CAS Number:
127413-59-6
Molecular Formula:
C8H6BrNO3
Molecular Weight:
244.0421
MDL Number:
MFCD20923634
IUPAC Name:
1-(3-bromo-5-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6BrNO3/c1-5(11)6-2-7(9)4-8(3-6)10(12)13/h2-4H,1H3
InChI Key:
KMNMBNPBERMCLJ-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(=O)C)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.044g/mol
Monoisotopic Mass:
242.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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