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Home > Nitro Compounds > 84062-36-2
84062-36-2 | METHYL(4-METHYLPHENYL)PHOSPHINIC ACID 4-NITROPHENYL ESTER
CAS No: 84062-36-2 Catalog No: AG0050ER MDL No:
Product Description
Catalog Number:
AG0050ER
Chemical Name:
METHYL(4-METHYLPHENYL)PHOSPHINIC ACID 4-NITROPHENYL ESTER
CAS Number:
84062-36-2
Molecular Formula:
C14H14NO4P
Molecular Weight:
291.2390
IUPAC Name:
1-methyl-4-[methyl-(4-nitrophenoxy)phosphoryl]benzene
InChI:
InChI=1S/C14H14NO4P/c1-11-3-9-14(10-4-11)20(2,18)19-13-7-5-12(6-8-13)15(16)17/h3-10H,1-2H3
InChI Key:
DLCOLFJNDIDPMJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)P(=O)(Oc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.066g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.243g/mol
Monoisotopic Mass:
291.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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