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128833-03-4 | Phosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl ester
CAS No: 128833-03-4 Catalog No: AG000YF6 MDL No:MFCD07772009
Product Description
Catalog Number:
AG000YF6
Chemical Name:
Phosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl ester
CAS Number:
128833-03-4
Molecular Formula:
C11H16BrO3P
Molecular Weight:
307.1207
MDL Number:
MFCD07772009
IUPAC Name:
1-bromo-3-(diethoxyphosphorylmethyl)benzene
InChI:
InChI=1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChI Key:
KVNNRCDDRDXWIW-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1cccc(c1)Br)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:
306.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.124g/mol
Monoisotopic Mass:
306.002g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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