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Home > Nitro Compounds > 79838-05-4
79838-05-4 | Phosphonochloridicacid, 4-morpholinyl-, 4-nitrophenyl ester (9CI)
CAS No: 79838-05-4 Catalog No: AG00503R MDL No:
Product Description
Catalog Number:
AG00503R
Chemical Name:
Phosphonochloridicacid, 4-morpholinyl-, 4-nitrophenyl ester (9CI)
CAS Number:
79838-05-4
Molecular Formula:
C10H13ClN2O5P-
Molecular Weight:
307.6474
IUPAC Name:
4-[chloro-(4-nitrophenoxy)phosphoryl]morpholine
InChI:
InChI=1S/C10H12ClN2O5P/c11-19(16,12-5-7-17-8-6-12)18-10-3-1-9(2-4-10)13(14)15/h1-4H,5-8H2
InChI Key:
NAYVUMVPONYZEA-UHFFFAOYSA-N
SMILES:
[O-]P(=O)(N1CCOCC1)[ClH]c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.639g/mol
Monoisotopic Mass:
306.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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