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100125-06-2 | Dibenzo[b,e][1,4]dioxin, 2-bromo-7-nitro-
CAS No: 100125-06-2 Catalog No: AG00010P MDL No:MFCD22572446
Product Description
Catalog Number:
AG00010P
Chemical Name:
Dibenzo[b,e][1,4]dioxin, 2-bromo-7-nitro-
CAS Number:
100125-06-2
Molecular Formula:
C12H6BrNO4
Molecular Weight:
308.0843
MDL Number:
MFCD22572446
IUPAC Name:
2-bromo-7-nitrodibenzo-p-dioxin
InChI:
InChI=1S/C12H6BrNO4/c13-7-1-3-9-11(5-7)17-10-4-2-8(14(15)16)6-12(10)18-9/h1-6H
InChI Key:
NEAQKVYUPNBTNP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.948g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.087g/mol
Monoisotopic Mass:
306.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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