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Home > Nitro Compounds > 332384-85-7
332384-85-7 | Dodecanoic acid [4-(4-nitro-phenyl)-thiazol-2-yl]-amide
CAS No: 332384-85-7 Catalog No: AG01F7TW MDL No:
Product Description
Catalog Number:
AG01F7TW
Chemical Name:
Dodecanoic acid [4-(4-nitro-phenyl)-thiazol-2-yl]-amide
CAS Number:
332384-85-7
Molecular Formula:
C21H29N3O3S
Molecular Weight:
403.5383
IUPAC Name:
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]dodecanamide
InChI:
InChI=1S/C21H29N3O3S/c1-2-3-4-5-6-7-8-9-10-11-20(25)23-21-22-19(16-28-21)17-12-14-18(15-13-17)24(26)27/h12-16H,2-11H2,1H3,(H,22,23,25)
InChI Key:
SOPVDKZKKKHCAF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)Nc1scc(n1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.193g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.541g/mol
Monoisotopic Mass:
403.193g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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