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116163-99-6 | Benzene, 1-bromo-2,5-dibutoxy-4-nitro-
CAS No: 116163-99-6 Catalog No: AG000BS8 MDL No:
Product Description
Catalog Number:
AG000BS8
Chemical Name:
Benzene, 1-bromo-2,5-dibutoxy-4-nitro-
CAS Number:
116163-99-6
Molecular Formula:
C14H20BrNO4
Molecular Weight:
346.2169
IUPAC Name:
1-bromo-2,5-dibutoxy-4-nitrobenzene
InChI:
InChI=1S/C14H20BrNO4/c1-3-5-7-19-13-10-12(16(17)18)14(9-11(13)15)20-8-6-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
BHYCBQZJEJBLDB-UHFFFAOYSA-N
SMILES:
CCCCOc1cc([N+](=O)[O-])c(cc1Br)OCCCC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.221g/mol
Monoisotopic Mass:
345.058g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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