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29074-98-4 | Phosphonic acid, P-[(2-chlorophenyl)methyl]-, diethyl ester
CAS No: 29074-98-4 Catalog No: AG002X98 MDL No:MFCD22574983
Product Description
Catalog Number:
AG002X98
Chemical Name:
Phosphonic acid, P-[(2-chlorophenyl)methyl]-, diethyl ester
CAS Number:
29074-98-4
Molecular Formula:
C11H16ClO3P
Molecular Weight:
262.6697
MDL Number:
MFCD22574983
IUPAC Name:
1-chloro-2-(diethoxyphosphorylmethyl)benzene
InChI:
InChI=1S/C11H16ClO3P/c1-3-14-16(13,15-4-2)9-10-7-5-6-8-11(10)12/h5-8H,3-4,9H2,1-2H3
InChI Key:
GKGLKJMZAVRUQO-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccccc1Cl)OCC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.67g/mol
Monoisotopic Mass:
262.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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