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Home > Nitro Compounds > 25156-79-0
25156-79-0 | 1H-Phosphole, 2,5-dihydro-3-methyl-1-(4-nitrophenoxy)-, 1-oxide
CAS No: 25156-79-0 Catalog No: AG002QOG MDL No:
Product Description
Catalog Number:
AG002QOG
Chemical Name:
1H-Phosphole, 2,5-dihydro-3-methyl-1-(4-nitrophenoxy)-, 1-oxide
CAS Number:
25156-79-0
Molecular Formula:
C11H12NO4P
Molecular Weight:
253.1910
IUPAC Name:
3-methyl-1-(4-nitrophenoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
InChI:
InChI=1S/C11H12NO4P/c1-9-6-7-17(15,8-9)16-11-4-2-10(3-5-11)12(13)14/h2-6H,7-8H2,1H3
InChI Key:
VQKYYPZWUJHVGU-UHFFFAOYSA-N
SMILES:
CC1=CCP(=O)(C1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.194g/mol
Monoisotopic Mass:
253.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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