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102293-45-8 | Benzene, 1-[4-[(6-bromohexyl)oxy]butyl]-4-nitro-
CAS No: 102293-45-8 Catalog No: AG00075A MDL No:
Product Description
Catalog Number:
AG00075A
Chemical Name:
Benzene, 1-[4-[(6-bromohexyl)oxy]butyl]-4-nitro-
CAS Number:
102293-45-8
Molecular Formula:
C16H24BrNO3
Molecular Weight:
358.2707
IUPAC Name:
1-[4-(6-bromohexoxy)butyl]-4-nitrobenzene
InChI:
InChI=1S/C16H24BrNO3/c17-12-4-1-2-5-13-21-14-6-3-7-15-8-10-16(11-9-15)18(19)20/h8-11H,1-7,12-14H2
InChI Key:
OKZVAKPAIXVGKV-UHFFFAOYSA-N
SMILES:
BrCCCCCCOCCCCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.276g/mol
Monoisotopic Mass:
357.094g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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