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Home > Nitro Compounds > 66132-85-2
66132-85-2 | Phosphonic acid, (1-hydroxy-2-nitro-2-phenylethyl)-, dimethyl ester
CAS No: 66132-85-2 Catalog No: AG00H82Q MDL No:
Product Description
Catalog Number:
AG00H82Q
Chemical Name:
Phosphonic acid, (1-hydroxy-2-nitro-2-phenylethyl)-, dimethyl ester
CAS Number:
66132-85-2
Molecular Formula:
C10H14NO6P
Molecular Weight:
275.1950
IUPAC Name:
1-dimethoxyphosphoryl-2-nitro-2-phenylethanol
InChI:
InChI=1S/C10H14NO6P/c1-16-18(15,17-2)10(12)9(11(13)14)8-6-4-3-5-7-8/h3-7,9-10,12H,1-2H3
InChI Key:
IMASXFIXUFDPFG-UHFFFAOYSA-N
SMILES:
COP(=O)(C(C(c1ccccc1)[N+](=O)[O-])O)OC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.197g/mol
Monoisotopic Mass:
275.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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