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23415-71-6 | Phosphonic acid, P-(3-chlorophenyl)-, diethyl ester
CAS No: 23415-71-6 Catalog No: AG002N63 MDL No:
Product Description
Catalog Number:
AG002N63
Chemical Name:
Phosphonic acid, P-(3-chlorophenyl)-, diethyl ester
CAS Number:
23415-71-6
Molecular Formula:
C10H14ClO3P
Molecular Weight:
248.6431
IUPAC Name:
1-chloro-3-diethoxyphosphorylbenzene
InChI:
InChI=1S/C10H14ClO3P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3
InChI Key:
UZBRFBHQOPBXDL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(c1cccc(c1)Cl)OCC
NSC Number:
132968
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.643g/mol
Monoisotopic Mass:
248.037g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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