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116384-57-7 | Phosphonic acid, [(2-bromoethoxy)methyl]-, diethyl ester (9CI)
CAS No: 116384-57-7 Catalog No: AG000CD7 MDL No:
Product Description
Catalog Number:
AG000CD7
Chemical Name:
Phosphonic acid, [(2-bromoethoxy)methyl]-, diethyl ester (9CI)
CAS Number:
116384-57-7
Molecular Formula:
C7H16BrO4P
Molecular Weight:
275.0773
IUPAC Name:
1-bromo-2-(diethoxyphosphorylmethoxy)ethane
InChI:
InChI=1S/C7H16BrO4P/c1-3-11-13(9,12-4-2)7-10-6-5-8/h3-7H2,1-2H3
InChI Key:
JCOLUXJISZCBEN-UHFFFAOYSA-N
SMILES:
BrCCOCP(=O)(OCC)OCC
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.079g/mol
Monoisotopic Mass:
273.997g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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