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175136-56-8 | Ethanone, 2-bromo-1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-
CAS No: 175136-56-8 Catalog No: AG00209V MDL No:
Product Description
Catalog Number:
AG00209V
Chemical Name:
Ethanone, 2-bromo-1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-
CAS Number:
175136-56-8
Molecular Formula:
C14H17BrN2O5
Molecular Weight:
373.1992
IUPAC Name:
2-bromo-1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
InChI:
InChI=1S/C14H17BrN2O5/c1-7-10(9(18)6-15)8(2)13(17(21)22)11(14(3,4)5)12(7)16(19)20/h6H2,1-5H3
InChI Key:
XAYNSGVLKKSRCP-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.203g/mol
Monoisotopic Mass:
372.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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