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Home > Nitro Compounds > 6998-42-1
6998-42-1 | Carbanilic acid,p-nitro-, piperonyl ester (7CI,8CI)
CAS No: 6998-42-1 Catalog No: AG005GL2 MDL No:
Product Description
Catalog Number:
AG005GL2
Chemical Name:
Carbanilic acid,p-nitro-, piperonyl ester (7CI,8CI)
CAS Number:
6998-42-1
Molecular Formula:
C20H26ClNO2
Molecular Weight:
347.8789
IUPAC Name:
N-(1-adamantyl)-2-(4-chlorophenoxy)-2-methylpropanamide
InChI:
InChI=1S/C20H26ClNO2/c1-19(2,24-17-5-3-16(21)4-6-17)18(23)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h3-6,13-15H,7-12H2,1-2H3,(H,22,23)
InChI Key:
CYTUEESGQUATHL-UHFFFAOYSA-N
SMILES:
O=C(C(Oc1ccc(cc1)Cl)(C)C)NC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.165g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.883g/mol
Monoisotopic Mass:
347.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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