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Home > Nitro Compounds > 37849-85-7
37849-85-7 | 1-butyl-2,4-dinitrobenzene
CAS No: 37849-85-7 Catalog No: AG01DKAN MDL No:MFCD27950148
Product Description
Catalog Number:
AG01DKAN
Chemical Name:
1-butyl-2,4-dinitrobenzene
CAS Number:
37849-85-7
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD27950148
IUPAC Name:
1-butyl-2,4-dinitrobenzene
InChI:
InChI=1S/C10H12N2O4/c1-2-3-4-8-5-6-9(11(13)14)7-10(8)12(15)16/h5-7H,2-4H2,1H3
InChI Key:
ZRLMFBOSLNCGQG-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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