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100929-51-9 | 2-Anthracenecarboxamide, N-(2-methylphenyl)-3-(phosphonooxy)-, sodium salt (1:2)
CAS No: 100929-51-9 Catalog No: AG00038E MDL No:
Product Description
Catalog Number:
AG00038E
Chemical Name:
2-Anthracenecarboxamide, N-(2-methylphenyl)-3-(phosphonooxy)-, sodium salt (1:2)
CAS Number:
100929-51-9
Molecular Formula:
C22H18NNa2O5P
Molecular Weight:
453.3353
IUPAC Name:
[3-[(2-methylphenyl)carbamoyl]anthracen-2-yl] dihydrogen phosphate;sodium
InChI:
InChI=1S/C22H18NO5P.Na/c1-14-6-2-5-9-20(14)23-22(24)19-12-17-10-15-7-3-4-8-16(15)11-18(17)13-21(19)28-29(25,26)27;/h2-13H,1H3,(H,23,24)(H2,25,26,27);
InChI Key:
MOWHLFFFGWOWGU-UHFFFAOYSA-N
SMILES:
O=C(c1cc2cc3ccccc3cc2cc1OP(=O)(O)O)Nc1ccccc1C.[Na].[Na]
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.082g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
430.352g/mol
Monoisotopic Mass:
430.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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