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189099-56-7 | Phosphonic acid, [(4-bromophenyl)chloromethyl]-, diphenyl ester (9CI)
CAS No: 189099-56-7 Catalog No: AG002HV4 MDL No:
Product Description
Catalog Number:
AG002HV4
Chemical Name:
Phosphonic acid, [(4-bromophenyl)chloromethyl]-, diphenyl ester (9CI)
CAS Number:
189099-56-7
Molecular Formula:
C19H15BrClO3P
Molecular Weight:
437.6514
IUPAC Name:
1-bromo-4-[chloro(diphenoxyphosphoryl)methyl]benzene
InChI:
InChI=1S/C19H15BrClO3P/c20-16-13-11-15(12-14-16)19(21)25(22,23-17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14,19H
InChI Key:
ZSYMFYMYJVSPDH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(P(=O)(Oc1ccccc1)Oc1ccccc1)Cl
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.963g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.654g/mol
Monoisotopic Mass:
435.963g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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