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886493-43-2 | (3-Bromo-phenyl)-(7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanol
CAS No: 886493-43-2 Catalog No: AG01EY86 MDL No:
Product Description
Catalog Number:
AG01EY86
Chemical Name:
(3-Bromo-phenyl)-(7-nitro-2,3-dihydro-benzo[1,4]dioxin-6-yl)-methanol
CAS Number:
886493-43-2
Molecular Formula:
C15H12BrNO5
Molecular Weight:
366.1635
IUPAC Name:
(3-bromophenyl)-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
InChI:
InChI=1S/C15H12BrNO5/c16-10-3-1-2-9(6-10)15(18)11-7-13-14(22-5-4-21-13)8-12(11)17(19)20/h1-3,6-8,15,18H,4-5H2
InChI Key:
AKRHQTFTWJJTLD-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1cc2OCCOc2cc1[N+](=O)[O-])O
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.99g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.167g/mol
Monoisotopic Mass:
364.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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