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27691-37-8 | Phosphonic acid, P-[[(4-bromophenyl)sulfonyl]methyl]-, diethyl ester
CAS No: 27691-37-8 Catalog No: AG002UHD MDL No:MFCD28369628
Product Description
Catalog Number:
AG002UHD
Chemical Name:
Phosphonic acid, P-[[(4-bromophenyl)sulfonyl]methyl]-, diethyl ester
CAS Number:
27691-37-8
Molecular Formula:
C11H16BrO5PS
Molecular Weight:
371.1845
MDL Number:
MFCD28369628
IUPAC Name:
1-bromo-4-(diethoxyphosphorylmethylsulfonyl)benzene
InChI:
InChI=1S/C11H16BrO5PS/c1-3-16-18(13,17-4-2)9-19(14,15)11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChI Key:
CIFWPPFDXPEZGN-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CS(=O)(=O)c1ccc(cc1)Br)OCC
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.964g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.182g/mol
Monoisotopic Mass:
369.964g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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