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1596-56-1 | 2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-(phosphonooxy)-
CAS No: 1596-56-1 Catalog No: AG001R89 MDL No:
Product Description
Catalog Number:
AG001R89
Chemical Name:
2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-(phosphonooxy)-
CAS Number:
1596-56-1
Molecular Formula:
C19H18NO5P
Molecular Weight:
371.3237
IUPAC Name:
[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
InChI:
InChI=1S/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)
InChI Key:
IOMLBTHPCVDRHM-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)NC(=O)c1cc2ccccc2cc1OP(=O)(O)O
EC Number:
216-480-1
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.092g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
371.329g/mol
Monoisotopic Mass:
371.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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