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114118-92-2 | 1-Decanol, 10-bromo-, 1-(4-nitrobenzoate)
CAS No: 114118-92-2 Catalog No: AG000AM9 MDL No:
Product Description
Catalog Number:
AG000AM9
Chemical Name:
1-Decanol, 10-bromo-, 1-(4-nitrobenzoate)
CAS Number:
114118-92-2
Molecular Formula:
C17H26BrNO5
Molecular Weight:
404.2960
IUPAC Name:
10-bromodecan-1-ol;4-nitrobenzoic acid
InChI:
InChI=1S/C10H21BrO.C7H5NO4/c11-9-7-5-3-1-2-4-6-8-10-12;9-7(10)5-1-3-6(4-2-5)8(11)12/h12H,1-10H2;1-4H,(H,9,10)
InChI Key:
UVLFGXPEZAWCHJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(=O)O.OCCCCCCCCCCBr
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.099g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.301g/mol
Monoisotopic Mass:
403.099g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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