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Home > Nitro Compounds > 886493-48-7
886493-48-7 | (7-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-phenyl -methanol
CAS No: 886493-48-7 Catalog No: AG01EY8B MDL No:
Product Description
Catalog Number:
AG01EY8B
Chemical Name:
(7-Nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-phenyl -methanol
CAS Number:
886493-48-7
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
IUPAC Name:
(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-phenylmethanol
InChI:
InChI=1S/C15H13NO5/c17-15(10-4-2-1-3-5-10)11-8-13-14(21-7-6-20-13)9-12(11)16(18)19/h1-5,8-9,15,17H,6-7H2
InChI Key:
GREOREPQVLIOEU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCCOc2cc1C(c1ccccc1)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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