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Home > Nitro Compounds > 14401-75-3
14401-75-3 | Ethanone, 1-(3,5-dinitrophenyl)-
CAS No: 14401-75-3 Catalog No: AG001ISM MDL No:MFCD00631987
Product Description
Catalog Number:
AG001ISM
Chemical Name:
Ethanone, 1-(3,5-dinitrophenyl)-
CAS Number:
14401-75-3
Molecular Formula:
C8H6N2O5
Molecular Weight:
210.1436
MDL Number:
MFCD00631987
IUPAC Name:
1-(3,5-dinitrophenyl)ethanone
InChI:
InChI=1S/C8H6N2O5/c1-5(11)6-2-7(9(12)13)4-8(3-6)10(14)15/h2-4H,1H3
InChI Key:
WGJQPJOLPLYFJH-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
87635
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.145g/mol
Monoisotopic Mass:
210.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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