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100377-10-4 | Phosphonic acid, (4-nitrophenyl)-, dimethyl ester (9CI)
CAS No: 100377-10-4 Catalog No: AG0001TH MDL No:
Product Description
Catalog Number:
AG0001TH
Chemical Name:
Phosphonic acid, (4-nitrophenyl)-, dimethyl ester (9CI)
CAS Number:
100377-10-4
Molecular Formula:
C8H10NO5P
Molecular Weight:
231.1425
IUPAC Name:
1-dimethoxyphosphoryl-4-nitrobenzene
InChI:
InChI=1S/C8H10NO5P/c1-13-15(12,14-2)8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
InChI Key:
OXRTWURVQFBNEZ-UHFFFAOYSA-N
SMILES:
COP(=O)(c1ccc(cc1)[N+](=O)[O-])OC
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.144g/mol
Monoisotopic Mass:
231.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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