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Home > Nitro Compounds > 25133-56-6
25133-56-6 | 1H-Phosphole, 2,5-dihydro-3,4-dimethyl-1-(4-nitrophenoxy)-, 1-oxide
CAS No: 25133-56-6 Catalog No: AG002QLB MDL No:
Product Description
Catalog Number:
AG002QLB
Chemical Name:
1H-Phosphole, 2,5-dihydro-3,4-dimethyl-1-(4-nitrophenoxy)-, 1-oxide
CAS Number:
25133-56-6
Molecular Formula:
C12H14NO4P
Molecular Weight:
267.2176
IUPAC Name:
3,4-dimethyl-1-(4-nitrophenoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
InChI:
InChI=1S/C12H14NO4P/c1-9-7-18(16,8-10(9)2)17-12-5-3-11(4-6-12)13(14)15/h3-6H,7-8H2,1-2H3
InChI Key:
YWIXYMZRAFRMKF-UHFFFAOYSA-N
SMILES:
CC1=C(C)CP(=O)(C1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.221g/mol
Monoisotopic Mass:
267.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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