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138833-60-0 | Tetradecanoic acid, 2-[(2-bromo-1-oxotetradecyl)amino]-, methyl ester
CAS No: 138833-60-0 Catalog No: AG0019NL MDL No:
Product Description
Catalog Number:
AG0019NL
Chemical Name:
Tetradecanoic acid, 2-[(2-bromo-1-oxotetradecyl)amino]-, methyl ester
CAS Number:
138833-60-0
Molecular Formula:
C29H56BrNO3
Molecular Weight:
546.6638
IUPAC Name:
methyl 2-(2-bromotetradecanoylamino)tetradecanoate
InChI:
InChI=1S/C29H56BrNO3/c1-4-6-8-10-12-14-16-18-20-22-24-26(30)28(32)31-27(29(33)34-3)25-23-21-19-17-15-13-11-9-7-5-2/h26-27H,4-25H2,1-3H3,(H,31,32)
InChI Key:
CZGLRERVBLNRHK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(C(=O)NC(C(=O)OC)CCCCCCCCCCCC)Br
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.344g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
546.675g/mol
Monoisotopic Mass:
545.344g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
12
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