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208345-70-4 | Benzenamine, 5-chloro-2-(dodecyloxy)-
CAS No: 208345-70-4 Catalog No: AG002JNP MDL No:
Product Description
Catalog Number:
AG002JNP
Chemical Name:
Benzenamine, 5-chloro-2-(dodecyloxy)-
CAS Number:
208345-70-4
Molecular Formula:
C18H30ClNO
Molecular Weight:
311.8899
IUPAC Name:
5-chloro-2-dodecoxyaniline
InChI:
InChI=1S/C18H30ClNO/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-13-12-16(19)15-17(18)20/h12-13,15H,2-11,14,20H2,1H3
InChI Key:
YSUKKGDSLGOSIN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1N)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.202g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.894g/mol
Monoisotopic Mass:
311.202g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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