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138517-18-7 | Phosphonic acid, P-(chloro-4-pyridinylmethyl)-, diphenyl ester
CAS No: 138517-18-7 Catalog No: AG0019CN MDL No:
Product Description
Catalog Number:
AG0019CN
Chemical Name:
Phosphonic acid, P-(chloro-4-pyridinylmethyl)-, diphenyl ester
CAS Number:
138517-18-7
Molecular Formula:
C18H15ClNO3P
Molecular Weight:
359.7434
IUPAC Name:
4-[chloro(diphenoxyphosphoryl)methyl]pyridine
InChI:
InChI=1S/C18H15ClNO3P/c19-18(15-11-13-20-14-12-15)24(21,22-16-7-3-1-4-8-16)23-17-9-5-2-6-10-17/h1-14,18H
InChI Key:
PBQDUDXYGWRUMB-UHFFFAOYSA-N
SMILES:
ClC(P(=O)(Oc1ccccc1)Oc1ccccc1)c1ccncc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.048g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.746g/mol
Monoisotopic Mass:
359.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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