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174678-80-9 | Phosphonic acid, P-[[4-(bromomethyl)phenyl]difluoromethyl]-, diethyl ester
CAS No: 174678-80-9 Catalog No: AG001ZVE MDL No:
Product Description
Catalog Number:
AG001ZVE
Chemical Name:
Phosphonic acid, P-[[4-(bromomethyl)phenyl]difluoromethyl]-, diethyl ester
CAS Number:
174678-80-9
Molecular Formula:
C12H16BrF2O3P
Molecular Weight:
357.1282
IUPAC Name:
1-(bromomethyl)-4-[diethoxyphosphoryl(difluoro)methyl]benzene
InChI:
InChI=1S/C12H16BrF2O3P/c1-3-17-19(16,18-4-2)12(14,15)11-7-5-10(9-13)6-8-11/h5-8H,3-4,9H2,1-2H3
InChI Key:
FOVYBNXOSRNQOI-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccc(cc1)CBr)(F)F)OCC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.999g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.132g/mol
Monoisotopic Mass:
355.999g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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