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Home > Nitro Compounds > 1017789-48-8
1017789-48-8 | Benzenebutanol, 2,4-dinitro-
CAS No: 1017789-48-8 Catalog No: AG0005K3 MDL No:
Product Description
Catalog Number:
AG0005K3
Chemical Name:
Benzenebutanol, 2,4-dinitro-
CAS Number:
1017789-48-8
Molecular Formula:
C10H12N2O5
Molecular Weight:
240.2127
IUPAC Name:
4-(2,4-dinitrophenyl)butan-1-ol
InChI:
InChI=1S/C10H12N2O5/c13-6-2-1-3-8-4-5-9(11(14)15)7-10(8)12(16)17/h4-5,7,13H,1-3,6H2
InChI Key:
PVTJRLPFWHICBH-UHFFFAOYSA-N
SMILES:
OCCCCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.215g/mol
Monoisotopic Mass:
240.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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