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113947-94-7 | Phosphoric acid, 4-chloro-2-nitrophenyl diethyl ester
CAS No: 113947-94-7 Catalog No: AG000A5F MDL No:
Product Description
Catalog Number:
AG000A5F
Chemical Name:
Phosphoric acid, 4-chloro-2-nitrophenyl diethyl ester
CAS Number:
113947-94-7
Molecular Formula:
C10H13ClNO6P
Molecular Weight:
309.6401
IUPAC Name:
(4-chloro-2-nitrophenyl) diethyl phosphate
InChI:
InChI=1S/C10H13ClNO6P/c1-3-16-19(15,17-4-2)18-10-6-5-8(11)7-9(10)12(13)14/h5-7H,3-4H2,1-2H3
InChI Key:
UBNIXKBHAAOZPX-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Oc1ccc(cc1[N+](=O)[O-])Cl)OCC
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.639g/mol
Monoisotopic Mass:
309.017g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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