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17589-66-1 | Benzene, 1-(4-bromophenoxy)-2,4-dinitro-
CAS No: 17589-66-1 Catalog No: AG00219Q MDL No:
Product Description
Catalog Number:
AG00219Q
Chemical Name:
Benzene, 1-(4-bromophenoxy)-2,4-dinitro-
CAS Number:
17589-66-1
Molecular Formula:
C12H7BrN2O5
Molecular Weight:
339.0984
IUPAC Name:
1-(4-bromophenoxy)-2,4-dinitrobenzene
InChI:
InChI=1S/C12H7BrN2O5/c13-8-1-4-10(5-2-8)20-12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
InChI Key:
BJGBENCKKXEWGB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
UNII:
Q4E7ICP457
NSC Number:
6882
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.954g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.101g/mol
Monoisotopic Mass:
337.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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