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23043-37-0 | 2-Butanone, 1-bromo-4-(2,4-dinitrophenyl)-
CAS No: 23043-37-0 Catalog No: AG002M01 MDL No:
Product Description
Catalog Number:
AG002M01
Chemical Name:
2-Butanone, 1-bromo-4-(2,4-dinitrophenyl)-
CAS Number:
23043-37-0
Molecular Formula:
C10H9BrN2O5
Molecular Weight:
317.0929
IUPAC Name:
1-bromo-4-(2,4-dinitrophenyl)butan-2-one
InChI:
InChI=1S/C10H9BrN2O5/c11-6-9(14)4-2-7-1-3-8(12(15)16)5-10(7)13(17)18/h1,3,5H,2,4,6H2
InChI Key:
ZJOGRWQGUGDSED-UHFFFAOYSA-N
SMILES:
BrCC(=O)CCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.969g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.095g/mol
Monoisotopic Mass:
315.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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