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Home > Nitro Compounds > 872578-78-4
872578-78-4 | Benzenemethanol, 5-(3-azidopropoxy)-2-nitro-
CAS No: 872578-78-4 Catalog No: AG004J88 MDL No:
Product Description
Catalog Number:
AG004J88
Chemical Name:
Benzenemethanol, 5-(3-azidopropoxy)-2-nitro-
CAS Number:
872578-78-4
Molecular Formula:
C10H12N4O4
Molecular Weight:
252.2267
IUPAC Name:
[5-(3-azidopropoxy)-2-nitrophenyl]methanol
InChI:
InChI=1S/C10H12N4O4/c11-13-12-4-1-5-18-9-2-3-10(14(16)17)8(6-9)7-15/h2-3,6,15H,1,4-5,7H2
InChI Key:
JMPBVIDDCYRYCX-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCCOc1ccc(c(c1)CO)[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.23g/mol
Monoisotopic Mass:
252.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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