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20772-07-0 | 2-Propanone, 1-bromo-3-(4-nitrophenyl)-
CAS No: 20772-07-0 Catalog No: AG002J7U MDL No:
Product Description
Catalog Number:
AG002J7U
Chemical Name:
2-Propanone, 1-bromo-3-(4-nitrophenyl)-
CAS Number:
20772-07-0
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
IUPAC Name:
1-bromo-3-(4-nitrophenyl)propan-2-one
InChI:
InChI=1S/C9H8BrNO3/c10-6-9(12)5-7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2
InChI Key:
NAQLGGFZERMMIJ-UHFFFAOYSA-N
SMILES:
BrCC(=O)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
219
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:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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